2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride

C16H19ClN6O2S — CID 120643848

IUPAC2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C16H18N6O2S.ClH/c1-22-16(19-13(21-22)10-4-6-17-7-5-10)20-14(23)12-9-18-15(25-12)11-3-2-8-24-11;/h2-3,8-10,17H,4-7H2,1H3,(H,19,20,21,23);1H
InChIKeyASJYFJJPHQWFNR-UHFFFAOYSA-N
MW394.89 g/mol
LogP2.67
Rot. Bonds4

About 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 120643848) has the molecular formula C16H19ClN6O2S and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID120643848
Molecular FormulaC16H19ClN6O2S
Molecular Weight394.89 g/mol
Exact Mass394.10
IUPAC Name2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C16H18N6O2S.ClH/c1-22-16(19-13(21-22)10-4-6-17-7-5-10)20-14(23)12-9-18-15(25-12)11-3-2-8-24-11;/h2-3,8-10,17H,4-7H2,1H3,(H,19,20,21,23);1H
InChIKeyASJYFJJPHQWFNR-UHFFFAOYSA-N
XLogP2.67
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 120642480
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 120644378
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 120642444
3-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120641981
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120644546
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 120643848) is 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is ASJYFJJPHQWFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S.ClH/c1-22-16(19-13(21-22)10-4-6-17-7-5-10)20-14(23)12-9-18-15(25-12)11-3-2-8-24-11;/h2-3,8-10,17H,4-7H2,1H3,(H,19,20,21,23);1H.
What are the key properties of 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 394.89 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120643848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).