N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane

C62H70Cl2F6N6O5S3 — CID 160693844

About N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane

N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane (PubChem CID 160693844) has the molecular formula C62H70Cl2F6N6O5S3 and a molecular weight of 1260.37 g/mol. Its IUPAC name is N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane.

Molecular Properties

• Compound Name: N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane
• PubChem CID: 160693844
• Molecular Formula: C62H70Cl2F6N6O5S3
• Molecular Weight: 1260.37 g/mol
• Exact Mass: 1258.39
• IUPAC Name: N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane
• SMILES: C.CC(=O)Cl.CC(=O)N(C(=O)c1sc(C)nc1C(F)F)c1ccccc1C1CC2CCC1C2.Cc1nc(C(F)F)c(C(=O)Cl)s1.Cc1nc(C(F)F)c(C(=O)Nc2ccccc2C2CC3CCC2C3)s1.Nc1ccccc1C1CC2CCC1C2
• InChI: InChI=1S/C21H22F2N2O2S.C19H20F2N2OS.C13H17N.C6H4ClF2NOS.C2H3ClO.CH4/c1-11-24-18(20(22)23)19(28-11)21(27)25(12(2)26)17-6-4-3-5-15(17)16-10-13-7-8-14(16)9-13;1-10-22-16(18(20)21)17(25-10)19(24)23-15-5-3-2-4-13(15)14-9-11-6-7-12(14)8-11;14-13-4-2-1-3-11(13)12-8-9-5-6-10(12)7-9;1-2-10-3(6(8)9)4(12-2)5(7)11;1-2(3)4;/h3-6,13-14,16,20H,7-10H2,1-2H3;2-5,11-12,14,18H,6-9H2,1H3,(H,23,24);1-4,9-10,12H,5-8,14H2;6H,1H3;1H3;1H4
• InChIKey: RPTGREMUOJDUOZ-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 165.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.37
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane?

The IUPAC name of N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane (CID 160693844) is N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane.

What is the SMILES notation for N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane?

The canonical SMILES for N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane is C.CC(=O)Cl.CC(=O)N(C(=O)c1sc(C)nc1C(F)F)c1ccccc1C1CC2CCC1C2.Cc1nc(C(F)F)c(C(=O)Cl)s1.Cc1nc(C(F)F)c(C(=O)Nc2ccccc2C2CC3CCC2C3)s1.Nc1ccccc1C1CC2CCC1C2.

What is the InChIKey of N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane?

The InChIKey is RPTGREMUOJDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2S.C19H20F2N2OS.C13H17N.C6H4ClF2NOS.C2H3ClO.CH4/c1-11-24-18(20(22)23)19(28-11)21(27)25(12(2)26)17-6-4-3-5-15(17)16-10-13-7-8-14(16)9-13;1-10-22-16(18(20)21)17(25-10)19(24)23-15-5-3-2-4-13(15)14-9-11-6-7-12(14)8-11;14-13-4-2-1-3-11(13)12-8-9-5-6-10(12)7-9;1-2-10-3(6(8)9)4(12-2)5(7)11;1-2(3)4;/h3-6,13-14,16,20H,7-10H2,1-2H3;2-5,11-12,14,18H,6-9H2,1H3,(H,23,24);1-4,9-10,12H,5-8,14H2;6H,1H3;1H3;1H4.

What are the key properties of N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane?

N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane has a molecular weight of 1260.37 g/mol, XLogP of 18.38, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;acetyl chloride;2-(2-bicyclo[2.2.1]heptanyl)aniline;N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride;methane is sourced from PubChem (CID 160693844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).