3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide

C18H18N6OS — CID 134080169

IUPAC3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)C1CNNC1c1ccccc1
InChIInChI=1S/C18H18N6OS/c25-17(14-10-22-24-15(14)12-5-2-1-3-6-12)21-9-13-11-26-18(23-13)16-19-7-4-8-20-16/h1-8,11,14-15,22,24H,9-10H2,(H,21,25)
InChIKeyKOYSHSCZAIFWRP-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.68
Rot. Bonds5

About 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide

3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134080169) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID134080169
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)C1CNNC1c1ccccc1
InChIInChI=1S/C18H18N6OS/c25-17(14-10-22-24-15(14)12-5-2-1-3-6-12)21-9-13-11-26-18(23-13)16-19-7-4-8-20-16/h1-8,11,14-15,22,24H,9-10H2,(H,21,25)
InChIKeyKOYSHSCZAIFWRP-UHFFFAOYSA-N
XLogP1.68
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 75592309
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide
CID 134068465
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide (CID 134080169) is 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide is O=C(NCc1csc(-c2ncccn2)n1)C1CNNC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is KOYSHSCZAIFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-17(14-10-22-24-15(14)12-5-2-1-3-6-12)21-9-13-11-26-18(23-13)16-19-7-4-8-20-16/h1-8,11,14-15,22,24H,9-10H2,(H,21,25).
What are the key properties of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide?
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).