N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H18N6OS — CID 119686694

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6OS/c23-16(13-10-22(21-20-13)11-5-7-17-8-6-11)18-9-15-19-12-3-1-2-4-14(12)24-15/h1-4,10-11,17H,5-9H2,(H,18,23)
InChIKeyIWCJNMDTDBAGGD-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.74
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119686694) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119686694
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6OS/c23-16(13-10-22(21-20-13)11-5-7-17-8-6-11)18-9-15-19-12-3-1-2-4-14(12)24-15/h1-4,10-11,17H,5-9H2,(H,18,23)
InChIKeyIWCJNMDTDBAGGD-UHFFFAOYSA-N
XLogP1.74
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692171
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42376514
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119686694) is N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is IWCJNMDTDBAGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-16(13-10-22(21-20-13)11-5-7-17-8-6-11)18-9-15-19-12-3-1-2-4-14(12)24-15/h1-4,10-11,17H,5-9H2,(H,18,23).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119686694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).