N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C20H21N5OS — CID 90519089

IUPACN-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)sn1
InChIInChI=1S/C20H21N5OS/c1-14-11-19(27-24-14)23-20(26)16-7-9-25(10-8-16)18-12-17(21-13-22-18)15-5-3-2-4-6-15/h2-6,11-13,16H,7-10H2,1H3,(H,23,26)
InChIKeyKAFVLGPXAYXJOT-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.76
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90519089) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90519089
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)sn1
InChIInChI=1S/C20H21N5OS/c1-14-11-19(27-24-14)23-20(26)16-7-9-25(10-8-16)18-12-17(21-13-22-18)15-5-3-2-4-6-15/h2-6,11-13,16H,7-10H2,1H3,(H,23,26)
InChIKeyKAFVLGPXAYXJOT-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519073
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519041
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90519089) is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KAFVLGPXAYXJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-14-11-19(27-24-14)23-20(26)16-7-9-25(10-8-16)18-12-17(21-13-22-18)15-5-3-2-4-6-15/h2-6,11-13,16H,7-10H2,1H3,(H,23,26).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90519089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).