N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H23ClN6OS — CID 119687105

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H22N6OS.ClH/c27-19(17-11-26(25-24-17)16-6-8-21-9-7-16)23-20-22-18(12-28-20)15-5-4-13-2-1-3-14(13)10-15;/h4-5,10-12,16,21H,1-3,6-9H2,(H,22,23,27);1H
InChIKeyTUGTVMVBQBQPQV-UHFFFAOYSA-N
MW430.97 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119687105) has the molecular formula C20H23ClN6OS and a molecular weight of 430.97 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119687105
Molecular FormulaC20H23ClN6OS
Molecular Weight430.97 g/mol
Exact Mass430.13
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H22N6OS.ClH/c27-19(17-11-26(25-24-17)16-6-8-21-9-7-16)23-20-22-18(12-28-20)15-5-4-13-2-1-3-14(13)10-15;/h4-5,10-12,16,21H,1-3,6-9H2,(H,22,23,27);1H
InChIKeyTUGTVMVBQBQPQV-UHFFFAOYSA-N
XLogP3.49
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.97
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119694864
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119861130
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 86780246
(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 167990270
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119883333
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112766235
N-[4-(2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405651
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119687105) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is TUGTVMVBQBQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS.ClH/c27-19(17-11-26(25-24-17)16-6-8-21-9-7-16)23-20-22-18(12-28-20)15-5-4-13-2-1-3-14(13)10-15;/h4-5,10-12,16,21H,1-3,6-9H2,(H,22,23,27);1H.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 430.97 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).