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

C16H24N6OS — CID 119891994

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(C)cs1
InChIInChI=1S/C16H24N6OS/c1-4-16(3,15-18-11(2)10-24-15)19-14(23)13-9-22(21-20-13)12-5-7-17-8-6-12/h9-10,12,17H,4-8H2,1-3H3,(H,19,23)
InChIKeyXNSPYROVNJPGKP-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119891994) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119891994
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(C)cs1
InChIInChI=1S/C16H24N6OS/c1-4-16(3,15-18-11(2)10-24-15)19-14(23)13-9-22(21-20-13)12-5-7-17-8-6-12/h9-10,12,17H,4-8H2,1-3H3,(H,19,23)
InChIKeyXNSPYROVNJPGKP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
CID 119892403
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734251
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119858719

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119891994) is N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is CCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nc(C)cs1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XNSPYROVNJPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-4-16(3,15-18-11(2)10-24-15)19-14(23)13-9-22(21-20-13)12-5-7-17-8-6-12/h9-10,12,17H,4-8H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119891994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).