2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide

C13H11F3N4OS — CID 5398429

IUPAC2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N4OS/c1-7-10(22-12(17)19-7)11(21)20-18-6-8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,20,21)/b18-6-
InChIKeyANTLKFRXEQSREB-FXBPXSCXSA-N
MW328.32 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 5398429) has the molecular formula C13H11F3N4OS and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID5398429
Molecular FormulaC13H11F3N4OS
Molecular Weight328.32 g/mol
Exact Mass328.06
IUPAC Name2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N4OS/c1-7-10(22-12(17)19-7)11(21)20-18-6-8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,20,21)/b18-6-
InChIKeyANTLKFRXEQSREB-FXBPXSCXSA-N
XLogP2.82
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511394
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 727684
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
4-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7894601
2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 5435424
6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510201
N-[(4-bromophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2337797
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide (CID 5398429) is 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is ANTLKFRXEQSREB-FXBPXSCXSA-N. The full InChI is InChI=1S/C13H11F3N4OS/c1-7-10(22-12(17)19-7)11(21)20-18-6-8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,20,21)/b18-6-.
What are the key properties of 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5398429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).