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

C13H18N6OS — CID 63284575

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cn(C3CCNCC3)nn2)s1
InChIInChI=1S/C13H18N6OS/c1-9-15-6-11(21-9)7-16-13(20)12-8-19(18-17-12)10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3,(H,16,20)
InChIKeyDZKWKLIUPHXJQY-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.90
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63284575) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63284575
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cn(C3CCNCC3)nn2)s1
InChIInChI=1S/C13H18N6OS/c1-9-15-6-11(21-9)7-16-13(20)12-8-19(18-17-12)10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3,(H,16,20)
InChIKeyDZKWKLIUPHXJQY-UHFFFAOYSA-N
XLogP0.90
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119755289
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 63284575) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1ncc(CNC(=O)c2cn(C3CCNCC3)nn2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DZKWKLIUPHXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9-15-6-11(21-9)7-16-13(20)12-8-19(18-17-12)10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3,(H,16,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).