N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide

C19H11F3N4O3S2 — CID 162535090

IUPACN-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C19H11F3N4O3S2/c20-19(21,22)29-13-7-3-1-5-10(13)15(27)25-17-24-12(9-30-17)16(28)26-18-23-11-6-2-4-8-14(11)31-18/h1-9H,(H,23,26,28)(H,24,25,27)
InChIKeyFISOFHSZCDTHDG-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.16
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 162535090) has the molecular formula C19H11F3N4O3S2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID162535090
Molecular FormulaC19H11F3N4O3S2
Molecular Weight464.45 g/mol
Exact Mass464.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C19H11F3N4O3S2/c20-19(21,22)29-13-7-3-1-5-10(13)15(27)25-17-24-12(9-30-17)16(28)26-18-23-11-6-2-4-8-14(11)31-18/h1-9H,(H,23,26,28)(H,24,25,27)
InChIKeyFISOFHSZCDTHDG-UHFFFAOYSA-N
XLogP5.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-yl]-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 87350559
2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 70679287
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-[(2-ethoxybenzoyl)amino]-N-ethyl-1,3-thiazole-4-carboxamide
CID 16915665
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 162535090) is N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is FISOFHSZCDTHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O3S2/c20-19(21,22)29-13-7-3-1-5-10(13)15(27)25-17-24-12(9-30-17)16(28)26-18-23-11-6-2-4-8-14(11)31-18/h1-9H,(H,23,26,28)(H,24,25,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162535090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).