N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C20H19ClN4OS — CID 154571647

IUPACN-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C20H19ClN4OS/c1-2-16-17(27-19(24-16)18-22-9-4-10-23-18)20(26)25(15-7-8-15)12-13-5-3-6-14(21)11-13/h3-6,9-11,15H,2,7-8,12H2,1H3
InChIKeyPLTVXFWHMYGMSU-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.62
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154571647) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID154571647
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C20H19ClN4OS/c1-2-16-17(27-19(24-16)18-22-9-4-10-23-18)20(26)25(15-7-8-15)12-13-5-3-6-14(21)11-13/h3-6,9-11,15H,2,7-8,12H2,1H3
InChIKeyPLTVXFWHMYGMSU-UHFFFAOYSA-N
XLogP4.62
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155913971
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
CID 65205920
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3834147
3-chloro-N-cyclohexyl-4,7-difluoro-N-[(3-pyrimidin-2-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 142391860
N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580040
N-benzyl-N-cyclopropyl-2,3-diethylquinoxaline-6-carboxamide
CID 30712262
(2S)-N-[(3-chlorophenyl)methyl]-N-cyclopropyl-2-(2-methylimidazol-1-yl)propanamide
CID 95227129
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570944
4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155505936
N-[2-(4-chlorophenyl)-4-methylpentyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579978

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154571647) is N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)N(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PLTVXFWHMYGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c1-2-16-17(27-19(24-16)18-22-9-4-10-23-18)20(26)25(15-7-8-15)12-13-5-3-6-14(21)11-13/h3-6,9-11,15H,2,7-8,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154571647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).