3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C13H12N4OS — CID 18145579

IUPAC3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1nccs1
InChIInChI=1S/C13H12N4OS/c18-12(17-13-14-7-8-19-13)6-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,14,17,18)
InChIKeyMRYDPQLPKXBSAK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 18145579) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID18145579
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1nccs1
InChIInChI=1S/C13H12N4OS/c18-12(17-13-14-7-8-19-13)6-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,14,17,18)
InChIKeyMRYDPQLPKXBSAK-UHFFFAOYSA-N
XLogP2.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29329184
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 44773909
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 18145579) is 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1nccs1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MRYDPQLPKXBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(17-13-14-7-8-19-13)6-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,14,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 272.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 18145579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).