[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride

C10H13ClN4OS — CID 119948450

IUPAC[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2nc(CC3CC3)no2)cs1
InChIInChI=1S/C10H12N4OS.ClH/c11-4-9-12-7(5-16-9)10-13-8(14-15-10)3-6-1-2-6;/h5-6H,1-4,11H2;1H
InChIKeySQAVUWONRRAQEK-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.03
Rot. Bonds4

About [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride

[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 119948450) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID119948450
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2nc(CC3CC3)no2)cs1
InChIInChI=1S/C10H12N4OS.ClH/c11-4-9-12-7(5-16-9)10-13-8(14-15-10)3-6-1-2-6;/h5-6H,1-4,11H2;1H
InChIKeySQAVUWONRRAQEK-UHFFFAOYSA-N
XLogP2.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 119948450) is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2nc(CC3CC3)no2)cs1.
What is the InChIKey of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is SQAVUWONRRAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS.ClH/c11-4-9-12-7(5-16-9)10-13-8(14-15-10)3-6-1-2-6;/h5-6H,1-4,11H2;1H.
What are the key properties of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 272.76 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119948450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).