N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride

C15H20ClN5OS — CID 129008074

IUPACN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1cnsn1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H19N5OS.ClH/c21-15(14-10-18-22-19-14)20(11-12-4-1-2-8-17-12)13-5-3-7-16-9-6-13;/h1-2,4,8,10,13,16H,3,5-7,9,11H2;1H
InChIKeyLYFBISQVTATKBO-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.14
Rot. Bonds4

About N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride

N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride (PubChem CID 129008074) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
PubChem CID129008074
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1cnsn1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H19N5OS.ClH/c21-15(14-10-18-22-19-14)20(11-12-4-1-2-8-17-12)13-5-3-7-16-9-6-13;/h1-2,4,8,10,13,16H,3,5-7,9,11H2;1H
InChIKeyLYFBISQVTATKBO-UHFFFAOYSA-N
XLogP2.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 126790216
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride (CID 129008074) is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride is Cl.O=C(c1cnsn1)N(Cc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride?
The InChIKey is LYFBISQVTATKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.ClH/c21-15(14-10-18-22-19-14)20(11-12-4-1-2-8-17-12)13-5-3-7-16-9-6-13;/h1-2,4,8,10,13,16H,3,5-7,9,11H2;1H.
What are the key properties of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride?
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 129008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).