N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C16H24N6OS — CID 119869509

IUPACN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCc1nc(CCNC(=O)c2nnn(C3CCNCC3)c2C)cs1
InChIInChI=1S/C16H24N6OS/c1-3-14-19-12(10-24-14)4-9-18-16(23)15-11(2)22(21-20-15)13-5-7-17-8-6-13/h10,13,17H,3-9H2,1-2H3,(H,18,23)
InChIKeyHPIQXYFCBIQCHC-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119869509) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119869509
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCc1nc(CCNC(=O)c2nnn(C3CCNCC3)c2C)cs1
InChIInChI=1S/C16H24N6OS/c1-3-14-19-12(10-24-14)4-9-18-16(23)15-11(2)22(21-20-15)13-5-7-17-8-6-13/h10,13,17H,3-9H2,1-2H3,(H,18,23)
InChIKeyHPIQXYFCBIQCHC-UHFFFAOYSA-N
XLogP1.50
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119869509) is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCc1nc(CCNC(=O)c2nnn(C3CCNCC3)c2C)cs1.
What is the InChIKey of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HPIQXYFCBIQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-3-14-19-12(10-24-14)4-9-18-16(23)15-11(2)22(21-20-15)13-5-7-17-8-6-13/h10,13,17H,3-9H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119869509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).