N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C21H21N3OS — CID 18859801

IUPACN-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3OS/c1-15-9-11-17(12-10-15)22-20(25)19-18(16-7-3-2-4-8-16)23-21(26-19)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,25)
InChIKeyBVOSQVLXSRVCQG-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.97
Rot. Bonds4

About N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 18859801) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID18859801
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3OS/c1-15-9-11-17(12-10-15)22-20(25)19-18(16-7-3-2-4-8-16)23-21(26-19)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,25)
InChIKeyBVOSQVLXSRVCQG-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8750603
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967888
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 18859801) is N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(N3CCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BVOSQVLXSRVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-15-9-11-17(12-10-15)22-20(25)19-18(16-7-3-2-4-8-16)23-21(26-19)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18859801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).