N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C21H23N5OS — CID 87035940

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)c3csc(-c4ncccn4)n3)CC2)c1
InChIInChI=1S/C21H23N5OS/c1-15-4-2-5-16(12-15)13-26-10-6-17(7-11-26)24-20(27)18-14-28-21(25-18)19-22-8-3-9-23-19/h2-5,8-9,12,14,17H,6-7,10-11,13H2,1H3,(H,24,27)
InChIKeyZTSYIAUCBZTHOF-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 87035940) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID87035940
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)c3csc(-c4ncccn4)n3)CC2)c1
InChIInChI=1S/C21H23N5OS/c1-15-4-2-5-16(12-15)13-26-10-6-17(7-11-26)24-20(27)18-14-28-21(25-18)19-22-8-3-9-23-19/h2-5,8-9,12,14,17H,6-7,10-11,13H2,1H3,(H,24,27)
InChIKeyZTSYIAUCBZTHOF-UHFFFAOYSA-N
XLogP3.30
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
2-(4-bromothiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 55946613
7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46483246
7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55745305
N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 52907438
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 87035940) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is Cc1cccc(CN2CCC(NC(=O)c3csc(-c4ncccn4)n3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZTSYIAUCBZTHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-15-4-2-5-16(12-15)13-26-10-6-17(7-11-26)24-20(27)18-14-28-21(25-18)19-22-8-3-9-23-19/h2-5,8-9,12,14,17H,6-7,10-11,13H2,1H3,(H,24,27).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87035940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).