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

C21H21N3OS — CID 4224043

IUPAC2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H21N3OS/c25-20(14-16-6-2-1-3-7-16)22-18-10-8-17(9-11-18)19-15-26-21(23-19)24-12-4-5-13-24/h1-3,6-11,15H,4-5,12-14H2,(H,22,25)
InChIKeyUGATUKRVINFUIG-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.59
Rot. Bonds5

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

2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 4224043) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID4224043
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H21N3OS/c25-20(14-16-6-2-1-3-7-16)22-18-10-8-17(9-11-18)19-15-26-21(23-19)24-12-4-5-13-24/h1-3,6-11,15H,4-5,12-14H2,(H,22,25)
InChIKeyUGATUKRVINFUIG-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
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N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
CID 3976277
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
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N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 4224043) is 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is UGATUKRVINFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-20(14-16-6-2-1-3-7-16)22-18-10-8-17(9-11-18)19-15-26-21(23-19)24-12-4-5-13-24/h1-3,6-11,15H,4-5,12-14H2,(H,22,25).
What are the key properties of 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 4224043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).