1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C19H23N3OS — CID 167847958

IUPAC1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3CCN(C4CC4)CC3)s2)cc1
InChIInChI=1S/C19H23N3OS/c1-13-2-4-14(5-3-13)17-12-20-19(24-17)21-18(23)15-8-10-22(11-9-15)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3,(H,20,21,23)
InChIKeyRQJBGPLYYOKGHR-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.93
Rot. Bonds4

About 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 167847958) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID167847958
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3CCN(C4CC4)CC3)s2)cc1
InChIInChI=1S/C19H23N3OS/c1-13-2-4-14(5-3-13)17-12-20-19(24-17)21-18(23)15-8-10-22(11-9-15)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3,(H,20,21,23)
InChIKeyRQJBGPLYYOKGHR-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
tert-butyl (3S)-3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 170987258
(3S)-1-ethynyl-N-[5-(4-ethynylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 155644150
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438
tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054
N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
CID 133369991
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
1-methyl-N-[5-(1,7-naphthyridin-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 168925803
(3S)-1-cyano-N-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980931
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 167847958) is 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2cnc(NC(=O)C3CCN(C4CC4)CC3)s2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is RQJBGPLYYOKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-2-4-14(5-3-13)17-12-20-19(24-17)21-18(23)15-8-10-22(11-9-15)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3,(H,20,21,23).
What are the key properties of 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 167847958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).