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

C12H16N6O2S — CID 106381319

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H16N6O2S/c19-11(14-5-8-7-21-12(20)15-8)10-6-18(17-16-10)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2,(H,14,19)(H,15,20)
InChIKeyGINYMOBSDBLPQJ-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.12
Rot. Bonds4

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 106381319) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID106381319
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H16N6O2S/c19-11(14-5-8-7-21-12(20)15-8)10-6-18(17-16-10)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2,(H,14,19)(H,15,20)
InChIKeyGINYMOBSDBLPQJ-UHFFFAOYSA-N
XLogP-0.12
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 106381319) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1csc(=O)[nH]1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GINYMOBSDBLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c19-11(14-5-8-7-21-12(20)15-8)10-6-18(17-16-10)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2,(H,14,19)(H,15,20).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 308.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 106381319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).