(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide

C17H17N3OS — CID 35542167

IUPAC(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCC[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-13(12-7-4-3-5-8-12)16(21)20-17-19-15(11-22-17)14-9-6-10-18-14/h3-11,13,18H,2H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyGSPVGRLMYQFGJO-ZDUSSCGKSA-N
MW311.41 g/mol
LogP4.27
Rot. Bonds5

About (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide

(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 35542167) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID35542167
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCC[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-13(12-7-4-3-5-8-12)16(21)20-17-19-15(11-22-17)14-9-6-10-18-14/h3-11,13,18H,2H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyGSPVGRLMYQFGJO-ZDUSSCGKSA-N
XLogP4.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
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(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
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(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
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N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
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(2R)-2-but-3-enoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
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2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 24687215
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide (CID 35542167) is (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide is CC[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is GSPVGRLMYQFGJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-13(12-7-4-3-5-8-12)16(21)20-17-19-15(11-22-17)14-9-6-10-18-14/h3-11,13,18H,2H2,1H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide?
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 311.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 35542167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).