4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 120573888

IUPAC4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H21N3OS/c1-11-14(9-6-10-18-11)20-16(21)15-12(2)19-17(22-15)13-7-4-3-5-8-13/h3-5,7-8,11,14,18H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyNBJQFVTWYSEYLV-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.99
Rot. Bonds3

About 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 120573888) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID120573888
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H21N3OS/c1-11-14(9-6-10-18-11)20-16(21)15-12(2)19-17(22-15)13-7-4-3-5-8-13/h3-5,7-8,11,14,18H,6,9-10H2,1-2H3,(H,20,21)
InChIKeyNBJQFVTWYSEYLV-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120574492
2-[(4-fluorophenyl)methyl]-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120575125
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8787113
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18157740
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 120574114
2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 120573888) is 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCNC1C.
What is the InChIKey of 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NBJQFVTWYSEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-14(9-6-10-18-11)20-16(21)15-12(2)19-17(22-15)13-7-4-3-5-8-13/h3-5,7-8,11,14,18H,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120573888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).