N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C16H15ClFN5O2S — CID 166245454

IUPACN-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cs1
InChIInChI=1S/C16H15ClFN5O2S/c1-7(2)14(25)23-16-19-8(6-26-16)3-13(24)22-15-20-11-4-9(17)10(18)5-12(11)21-15/h4-7H,3H2,1-2H3,(H,19,23,25)(H2,20,21,22,24)
InChIKeyOJCXMJSOHBFHDJ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 166245454) has the molecular formula C16H15ClFN5O2S and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID166245454
Molecular FormulaC16H15ClFN5O2S
Molecular Weight395.85 g/mol
Exact Mass395.06
IUPAC NameN-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cs1
InChIInChI=1S/C16H15ClFN5O2S/c1-7(2)14(25)23-16-19-8(6-26-16)3-13(24)22-15-20-11-4-9(17)10(18)5-12(11)21-15/h4-7H,3H2,1-2H3,(H,19,23,25)(H2,20,21,22,24)
InChIKeyOJCXMJSOHBFHDJ-UHFFFAOYSA-N
XLogP3.59
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47067702
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
2-methyl-2-[4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697209
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
N-[4-[2-[(6-amino-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119618303
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
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CID 47047007
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55849804
N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55880244

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 166245454) is N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cs1.
What is the InChIKey of N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is OJCXMJSOHBFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2S/c1-7(2)14(25)23-16-19-8(6-26-16)3-13(24)22-15-20-11-4-9(17)10(18)5-12(11)21-15/h4-7H,3H2,1-2H3,(H,19,23,25)(H2,20,21,22,24).
What are the key properties of N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 395.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 166245454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).