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

C23H25N3OS — CID 7265294

IUPAC(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-2-20(17-9-4-3-5-10-17)22(27)24-19-12-8-11-18(15-19)21-16-28-23(25-21)26-13-6-7-14-26/h3-5,8-12,15-16,20H,2,6-7,13-14H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyUIONKRZHFDALRN-FQEVSTJZSA-N
MW391.54 g/mol
LogP5.54
Rot. Bonds6

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

(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 7265294) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID7265294
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-2-20(17-9-4-3-5-10-17)22(27)24-19-12-8-11-18(15-19)21-16-28-23(25-21)26-13-6-7-14-26/h3-5,8-12,15-16,20H,2,6-7,13-14H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyUIONKRZHFDALRN-FQEVSTJZSA-N
XLogP5.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 7265294) is (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is CC[C@H](C(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is UIONKRZHFDALRN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-2-20(17-9-4-3-5-10-17)22(27)24-19-12-8-11-18(15-19)21-16-28-23(25-21)26-13-6-7-14-26/h3-5,8-12,15-16,20H,2,6-7,13-14H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 391.54 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 7265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).