4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H26N6OS — CID 138030931

IUPAC4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCNCC2)sc1C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C17H26N6OS/c1-11(2)15-22-20-10-23(15)9-8-19-16(24)14-12(3)21-17(25-14)13-4-6-18-7-5-13/h10-11,13,18H,4-9H2,1-3H3,(H,19,24)
InChIKeyALQHJGYZLZAGNW-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.06
Rot. Bonds6

About 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 138030931) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID138030931
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCNCC2)sc1C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C17H26N6OS/c1-11(2)15-22-20-10-23(15)9-8-19-16(24)14-12(3)21-17(25-14)13-4-6-18-7-5-13/h10-11,13,18H,4-9H2,1-3H3,(H,19,24)
InChIKeyALQHJGYZLZAGNW-UHFFFAOYSA-N
XLogP2.06
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 138030931) is 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C2CCNCC2)sc1C(=O)NCCn1cnnc1C(C)C.
What is the InChIKey of 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ALQHJGYZLZAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-11(2)15-22-20-10-23(15)9-8-19-16(24)14-12(3)21-17(25-14)13-4-6-18-7-5-13/h10-11,13,18H,4-9H2,1-3H3,(H,19,24).
What are the key properties of 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138030931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).