2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine

C87H79Cl3F18N14O7S8 — CID 172935457

About 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine

2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine (PubChem CID 172935457) has the molecular formula C87H79Cl3F18N14O7S8 and a molecular weight of 2137.54 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine.

Molecular Properties

• Compound Name: 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine
• PubChem CID: 172935457
• Molecular Formula: C87H79Cl3F18N14O7S8
• Molecular Weight: 2137.54 g/mol
• Exact Mass: 2134.28
• IUPAC Name: 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine
• SMILES: C/C(=N/O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(=O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(=O)c1cnc(Cl)s1.CC(N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CON(C)C(=O)c1cnc(Cl)s1.C[C@@H](N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.C[C@H](N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.Nc1ccc(C(F)(F)F)cc1.O=C(O)c1cnc(Cl)s1
• InChI: InChI=1S/C13H11F3N2OS.3C13H13F3N2S.C13H10F3NOS.C7H6F3N.C6H7ClN2O2S.C5H4ClNOS.C4H2ClNO2S/c1-8(18-19)11-7-17-12(20-11)6-9-2-4-10(5-3-9)13(14,15)16;3*1-8(17)11-7-18-12(19-11)6-9-2-4-10(5-3-9)13(14,15)16;1-8(18)11-7-17-12(19-11)6-9-2-4-10(5-3-9)13(14,15)16;8-7(9,10)5-1-3-6(11)4-2-5;1-9(11-2)5(10)4-3-8-6(7)12-4;1-3(8)4-2-7-5(6)9-4;5-4-6-1-2(9-4)3(7)8/h2-5,7,19H,6H2,1H3;3*2-5,7-8H,6,17H2,1H3;2-5,7H,6H2,1H3;1-4H,11H2;3H,1-2H3;2H,1H3;1H,(H,7,8)/b18-8-;;;;;;;;/t;2*8-;;;;;;/m.10....../s1
• InChIKey: RFXKDXJTMPPSES-BBCXEFIASA-N
• XLogP: 26.43
• TPSA: 340.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.54
LogP ≤ 5	26.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine?

The IUPAC name of 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine (CID 172935457) is 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine.

What is the SMILES notation for 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine?

The canonical SMILES for 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine is C/C(=N/O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(=O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(=O)c1cnc(Cl)s1.CC(N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CON(C)C(=O)c1cnc(Cl)s1.C[C@@H](N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.C[C@H](N)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.Nc1ccc(C(F)(F)F)cc1.O=C(O)c1cnc(Cl)s1.

What is the InChIKey of 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine?

The InChIKey is RFXKDXJTMPPSES-BBCXEFIASA-N. The full InChI is InChI=1S/C13H11F3N2OS.3C13H13F3N2S.C13H10F3NOS.C7H6F3N.C6H7ClN2O2S.C5H4ClNOS.C4H2ClNO2S/c1-8(18-19)11-7-17-12(20-11)6-9-2-4-10(5-3-9)13(14,15)16;3*1-8(17)11-7-18-12(19-11)6-9-2-4-10(5-3-9)13(14,15)16;1-8(18)11-7-17-12(19-11)6-9-2-4-10(5-3-9)13(14,15)16;8-7(9,10)5-1-3-6(11)4-2-5;1-9(11-2)5(10)4-3-8-6(7)12-4;1-3(8)4-2-7-5(6)9-4;5-4-6-1-2(9-4)3(7)8/h2-5,7,19H,6H2,1H3;3*2-5,7-8H,6,17H2,1H3;2-5,7H,6H2,1H3;1-4H,11H2;3H,1-2H3;2H,1H3;1H,(H,7,8)/b18-8-;;;;;;;;/t;2*8-;;;;;;/m.10....../s1.

What are the key properties of 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine?

2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine has a molecular weight of 2137.54 g/mol, XLogP of 26.43, 19 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide;2-chloro-1,3-thiazole-5-carboxylic acid;1-(2-chloro-1,3-thiazol-5-yl)ethanone;4-(trifluoromethyl)aniline;(1S)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;(1R)-1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine;1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanone;(NZ)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 172935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).