N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide

C14H16ClN5OS — CID 69414417

IUPACN-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1nc(-c2ccc(Cl)s2)cn1CC#N
InChIInChI=1S/C14H16ClN5OS/c1-9(2)17-7-13(21)19-14-18-10(8-20(14)6-5-16)11-3-4-12(15)22-11/h3-4,8-9,17H,6-7H2,1-2H3,(H,18,19,21)
InChIKeyBHNOSXPFMCVQLF-UHFFFAOYSA-N
MW337.84 g/mol
LogP2.73
Rot. Bonds6

About N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide

N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide (PubChem CID 69414417) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide
PubChem CID69414417
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1nc(-c2ccc(Cl)s2)cn1CC#N
InChIInChI=1S/C14H16ClN5OS/c1-9(2)17-7-13(21)19-14-18-10(8-20(14)6-5-16)11-3-4-12(15)22-11/h3-4,8-9,17H,6-7H2,1-2H3,(H,18,19,21)
InChIKeyBHNOSXPFMCVQLF-UHFFFAOYSA-N
XLogP2.73
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[2-[[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]amino]-2-oxoethyl]-propan-2-ylamino]-3-(3,4-dimethoxyphenyl)-4-oxobutanoate;ethane
CID 143507108
ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate
CID 70313707
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 23612563
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
N-acetyl-N-[4-[3-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]acetamide
CID 67261117
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7546081
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide (CID 69414417) is N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1nc(-c2ccc(Cl)s2)cn1CC#N.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide?
The InChIKey is BHNOSXPFMCVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-9(2)17-7-13(21)19-14-18-10(8-20(14)6-5-16)11-3-4-12(15)22-11/h3-4,8-9,17H,6-7H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide?
N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide has a molecular weight of 337.84 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1-(cyanomethyl)imidazol-2-yl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 69414417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).