5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C15H21ClN4S — CID 120897264

IUPAC5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCCCCC2c2ccncc2)s1
InChIInChI=1S/C15H20N4S.ClH/c16-15-18-10-13(20-15)11-19-9-3-1-2-4-14(19)12-5-7-17-8-6-12;/h5-8,10,14H,1-4,9,11H2,(H2,16,18);1H
InChIKeyANBZQESNTSJEIM-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.66
Rot. Bonds3

About 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897264) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897264
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCCCCC2c2ccncc2)s1
InChIInChI=1S/C15H20N4S.ClH/c16-15-18-10-13(20-15)11-19-9-3-1-2-4-14(19)12-5-7-17-8-6-12;/h5-8,10,14H,1-4,9,11H2,(H2,16,18);1H
InChIKeyANBZQESNTSJEIM-UHFFFAOYSA-N
XLogP3.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120898937
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
CID 112826237

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897264) is 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCCCCC2c2ccncc2)s1.
What is the InChIKey of 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ANBZQESNTSJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.ClH/c16-15-18-10-13(20-15)11-19-9-3-1-2-4-14(19)12-5-7-17-8-6-12;/h5-8,10,14H,1-4,9,11H2,(H2,16,18);1H.
What are the key properties of 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).