2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

C20H12ClF6N5O3S — CID 70679287

IUPAC2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C20H11F6N5O3S.ClH/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26;/h1-8H,(H,29,31,32)(H2,27,28,30,33);1H
InChIKeyZNMDDBHOPZMDED-UHFFFAOYSA-N
MW551.86 g/mol
LogP5.86
Rot. Bonds5

About 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 70679287) has the molecular formula C20H12ClF6N5O3S and a molecular weight of 551.86 g/mol. Its IUPAC name is 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID70679287
Molecular FormulaC20H12ClF6N5O3S
Molecular Weight551.86 g/mol
Exact Mass551.03
IUPAC Name2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C20H11F6N5O3S.ClH/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26;/h1-8H,(H,29,31,32)(H2,27,28,30,33);1H
InChIKeyZNMDDBHOPZMDED-UHFFFAOYSA-N
XLogP5.86
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.86
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2,2,2-trifluoroacetic acid);2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 66563674
N-(1,3-benzothiazol-2-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 162535090
2-[(2-chlorobenzoyl)amino]-N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 174577127
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
CID 75396723
3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
CID 122136688
N-[6-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-yl]-2-[[2-(trifluoromethoxy)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 87350559
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
CID 146929473
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
3-hydroxy-3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butanamide
CID 139518431
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
CID 171637730

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 70679287) is 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZNMDDBHOPZMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5O3S.ClH/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26;/h1-8H,(H,29,31,32)(H2,27,28,30,33);1H.
What are the key properties of 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 551.86 g/mol, XLogP of 5.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 70679287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).