N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide

C18H21N5OS — CID 166298815

IUPACN-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(C2CC2)nc2ccccc21)c1csc(N)n1
InChIInChI=1S/C18H21N5OS/c1-11(14-10-25-18(19)22-14)20-16(24)8-9-23-15-5-3-2-4-13(15)21-17(23)12-6-7-12/h2-5,10-12H,6-9H2,1H3,(H2,19,22)(H,20,24)
InChIKeyICFWWBLKOVXPFL-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide

N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide (PubChem CID 166298815) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide
PubChem CID166298815
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(C2CC2)nc2ccccc21)c1csc(N)n1
InChIInChI=1S/C18H21N5OS/c1-11(14-10-25-18(19)22-14)20-16(24)8-9-23-15-5-3-2-4-13(15)21-17(23)12-6-7-12/h2-5,10-12H,6-9H2,1H3,(H2,19,22)(H,20,24)
InChIKeyICFWWBLKOVXPFL-UHFFFAOYSA-N
XLogP3.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide
CID 119062430
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide (CID 166298815) is N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide is CC(NC(=O)CCn1c(C2CC2)nc2ccccc21)c1csc(N)n1.
What is the InChIKey of N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide?
The InChIKey is ICFWWBLKOVXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11(14-10-25-18(19)22-14)20-16(24)8-9-23-15-5-3-2-4-13(15)21-17(23)12-6-7-12/h2-5,10-12H,6-9H2,1H3,(H2,19,22)(H,20,24).
What are the key properties of N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide?
N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide has a molecular weight of 355.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 166298815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).