N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C13H18N6OS — CID 63284860

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1C
InChIInChI=1S/C13H18N6OS/c1-8-9(2)21-13(15-8)16-12(20)11-7-19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20)
InChIKeyGOQMKUSEUFGZDF-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.53
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63284860) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63284860
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1C
InChIInChI=1S/C13H18N6OS/c1-8-9(2)21-13(15-8)16-12(20)11-7-19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20)
InChIKeyGOQMKUSEUFGZDF-UHFFFAOYSA-N
XLogP1.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 1547964
N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride
CID 118741858
N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide
CID 110271502
N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 118715039
N-(5-cyanothiazol-2-yl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 52417480
1-(cis-4-aminocyclohexyl)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 70747013
N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide
CID 164642601
1-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]imidazole-4-carboxamide
CID 177802858
1-(1-methyl-1H-1,2,3-triazole-4-carbonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676999
N-isobutyl-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56718627
N-(5-(1-methyl-1H-1,2,3-triazole-4-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 71787990
1-methyl-N-(5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 71788261

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 63284860) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1nc(NC(=O)c2cn(C3CCNCC3)nn2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GOQMKUSEUFGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-8-9(2)21-13(15-8)16-12(20)11-7-19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63284860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).