N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C20H21N5OS — CID 87008768

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C20H21N5OS/c26-19(16-14-27-20(24-16)18-21-9-6-10-22-18)23-13-17(25-11-4-5-12-25)15-7-2-1-3-8-15/h1-3,6-10,14,17H,4-5,11-13H2,(H,23,26)
InChIKeyUQLKOLALPTXARL-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.17
Rot. Bonds6

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 87008768) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID87008768
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C20H21N5OS/c26-19(16-14-27-20(24-16)18-21-9-6-10-22-18)23-13-17(25-11-4-5-12-25)15-7-2-1-3-8-15/h1-3,6-10,14,17H,4-5,11-13H2,(H,23,26)
InChIKeyUQLKOLALPTXARL-UHFFFAOYSA-N
XLogP3.17
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 52510560
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111120104
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111565882
2-(aminomethyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 119866500
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
2-(4-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 55930317
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 87008768) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UQLKOLALPTXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(16-14-27-20(24-16)18-21-9-6-10-22-18)23-13-17(25-11-4-5-12-25)15-7-2-1-3-8-15/h1-3,6-10,14,17H,4-5,11-13H2,(H,23,26).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87008768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).