(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide

C17H20N4OS — CID 95142229

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)[C@H](C)n2cnc3ccccc32)s1
InChIInChI=1S/C17H20N4OS/c1-10-16(23-13(4)19-10)11(2)20-17(22)12(3)21-9-18-14-7-5-6-8-15(14)21/h5-9,11-12H,1-4H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyUNHNXCFHRDTMHU-NEPJUHHUSA-N
MW328.44 g/mol
LogP3.55
Rot. Bonds4

About (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 95142229) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID95142229
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)[C@H](C)n2cnc3ccccc32)s1
InChIInChI=1S/C17H20N4OS/c1-10-16(23-13(4)19-10)11(2)20-17(22)12(3)21-9-18-14-7-5-6-8-15(14)21/h5-9,11-12H,1-4H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyUNHNXCFHRDTMHU-NEPJUHHUSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide (CID 95142229) is (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide is Cc1nc(C)c([C@@H](C)NC(=O)[C@H](C)n2cnc3ccccc32)s1.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is UNHNXCFHRDTMHU-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-10-16(23-13(4)19-10)11(2)20-17(22)12(3)21-9-18-14-7-5-6-8-15(14)21/h5-9,11-12H,1-4H3,(H,20,22)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 95142229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).