N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C16H24N6OS — CID 120644545

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1
InChIInChI=1S/C16H24N6OS/c1-10(2)8-13-18-12(9-24-13)15(23)20-16-19-14(21-22(16)3)11-4-6-17-7-5-11/h9-11,17H,4-8H2,1-3H3,(H,19,20,21,23)
InChIKeyDPCFLCHHVDNVGS-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 120644545) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID120644545
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1
InChIInChI=1S/C16H24N6OS/c1-10(2)8-13-18-12(9-24-13)15(23)20-16-19-14(21-22(16)3)11-4-6-17-7-5-11/h9-11,17H,4-8H2,1-3H3,(H,19,20,21,23)
InChIKeyDPCFLCHHVDNVGS-UHFFFAOYSA-N
XLogP2.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 120644545) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DPCFLCHHVDNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-10(2)8-13-18-12(9-24-13)15(23)20-16-19-14(21-22(16)3)11-4-6-17-7-5-11/h9-11,17H,4-8H2,1-3H3,(H,19,20,21,23).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120644545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).