N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H18N8OS — CID 71810848

IUPACN-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)sn1
InChIInChI=1S/C16H18N8OS/c1-11-6-15(26-22-11)21-16(25)12-2-4-23(5-3-12)13-7-14(19-9-18-13)24-10-17-8-20-24/h6-10,12H,2-5H2,1H3,(H,21,25)
InChIKeyKWMMIJCPQSTCSD-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.68
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 71810848) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID71810848
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)sn1
InChIInChI=1S/C16H18N8OS/c1-11-6-15(26-22-11)21-16(25)12-2-4-23(5-3-12)13-7-14(19-9-18-13)24-10-17-8-20-24/h6-10,12H,2-5H2,1H3,(H,21,25)
InChIKeyKWMMIJCPQSTCSD-UHFFFAOYSA-N
XLogP1.68
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 71810848) is N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is KWMMIJCPQSTCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-11-6-15(26-22-11)21-16(25)12-2-4-23(5-3-12)13-7-14(19-9-18-13)24-10-17-8-20-24/h6-10,12H,2-5H2,1H3,(H,21,25).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).