5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H20ClN5OS — CID 120901883

IUPAC5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCc1nc(C2(NCc3cnc(N)s3)CCCC2)no1.Cl
InChIInChI=1S/C13H19N5OS.ClH/c1-2-10-17-11(18-19-10)13(5-3-4-6-13)16-8-9-7-15-12(14)20-9;/h7,16H,2-6,8H2,1H3,(H2,14,15);1H
InChIKeyZRRMKQILPULBAS-UHFFFAOYSA-N
MW329.86 g/mol
LogP2.65
Rot. Bonds5

About 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901883) has the molecular formula C13H20ClN5OS and a molecular weight of 329.86 g/mol. Its IUPAC name is 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901883
Molecular FormulaC13H20ClN5OS
Molecular Weight329.86 g/mol
Exact Mass329.11
IUPAC Name5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCc1nc(C2(NCc3cnc(N)s3)CCCC2)no1.Cl
InChIInChI=1S/C13H19N5OS.ClH/c1-2-10-17-11(18-19-10)13(5-3-4-6-13)16-8-9-7-15-12(14)20-9;/h7,16H,2-6,8H2,1H3,(H2,14,15);1H
InChIKeyZRRMKQILPULBAS-UHFFFAOYSA-N
XLogP2.65
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.86
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
CID 120902030
1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 126781906
5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
CID 120902010
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
CID 120902032
1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
CID 126776918
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126780940
5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
CID 91042392
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 62522547

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901883) is 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCc1nc(C2(NCc3cnc(N)s3)CCCC2)no1.Cl.
What is the InChIKey of 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZRRMKQILPULBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS.ClH/c1-2-10-17-11(18-19-10)13(5-3-4-6-13)16-8-9-7-15-12(14)20-9;/h7,16H,2-6,8H2,1H3,(H2,14,15);1H.
What are the key properties of 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 329.86 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).