1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C14H17ClN6OS — CID 120853588

IUPAC1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.Cn1cc(-c2ncc(-c3nc(C4(N)CCCC4)no3)s2)cn1
InChIInChI=1S/C14H16N6OS.ClH/c1-20-8-9(6-17-20)12-16-7-10(22-12)11-18-13(19-21-11)14(15)4-2-3-5-14;/h6-8H,2-5,15H2,1H3;1H
InChIKeyAFMWAJHLOGCHTR-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.74
Rot. Bonds3

About 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853588) has the molecular formula C14H17ClN6OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853588
Molecular FormulaC14H17ClN6OS
Molecular Weight352.85 g/mol
Exact Mass352.09
IUPAC Name1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.Cn1cc(-c2ncc(-c3nc(C4(N)CCCC4)no3)s2)cn1
InChIInChI=1S/C14H16N6OS.ClH/c1-20-8-9(6-17-20)12-16-7-10(22-12)11-18-13(19-21-11)14(15)4-2-3-5-14;/h6-8H,2-5,15H2,1H3;1H
InChIKeyAFMWAJHLOGCHTR-UHFFFAOYSA-N
XLogP2.74
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(2-pyridin-4-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862345
1-[5-(1-tert-butylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854261
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[5-(2-benzyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853711
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165
1-[5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852450
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
1-[5-[(1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857193
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853588) is 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.Cn1cc(-c2ncc(-c3nc(C4(N)CCCC4)no3)s2)cn1.
What is the InChIKey of 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is AFMWAJHLOGCHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS.ClH/c1-20-8-9(6-17-20)12-16-7-10(22-12)11-18-13(19-21-11)14(15)4-2-3-5-14;/h6-8H,2-5,15H2,1H3;1H.
What are the key properties of 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 352.85 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).