1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride

C18H23Cl2N7OS — CID 119882601

IUPAC1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1nc(-c2ccccn2)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H21N7OS.2ClH/c26-18(15-11-25(24-23-15)13-4-8-19-9-5-13)21-10-6-17-22-16(12-27-17)14-3-1-2-7-20-14;;/h1-3,7,11-13,19H,4-6,8-10H2,(H,21,26);2*1H
InChIKeyKRTVZWOVTRCAMG-UHFFFAOYSA-N
MW456.40 g/mol
LogP2.54
Rot. Bonds6

About 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119882601) has the molecular formula C18H23Cl2N7OS and a molecular weight of 456.40 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119882601
Molecular FormulaC18H23Cl2N7OS
Molecular Weight456.40 g/mol
Exact Mass455.11
IUPAC Name1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1nc(-c2ccccn2)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H21N7OS.2ClH/c26-18(15-11-25(24-23-15)13-4-8-19-9-5-13)21-10-6-17-22-16(12-27-17)14-3-1-2-7-20-14;;/h1-3,7,11-13,19H,4-6,8-10H2,(H,21,26);2*1H
InChIKeyKRTVZWOVTRCAMG-UHFFFAOYSA-N
XLogP2.54
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692171
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 146126484
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119900688

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride (CID 119882601) is 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1nc(-c2ccccn2)cs1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is KRTVZWOVTRCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS.2ClH/c26-18(15-11-25(24-23-15)13-4-8-19-9-5-13)21-10-6-17-22-16(12-27-17)14-3-1-2-7-20-14;;/h1-3,7,11-13,19H,4-6,8-10H2,(H,21,26);2*1H.
What are the key properties of 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 456.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119882601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).