[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine

C11H10N4OS2 — CID 63628521

IUPAC[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C11H10N4OS2/c1-6-9(18-8(4-12)13-6)11-14-10(15-16-11)7-2-3-17-5-7/h2-3,5H,4,12H2,1H3
InChIKeyUYWZJYZNUSEAGJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.69
Rot. Bonds3

About [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine

[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 63628521) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID63628521
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(-c2ccsc2)no1
InChIInChI=1S/C11H10N4OS2/c1-6-9(18-8(4-12)13-6)11-14-10(15-16-11)7-2-3-17-5-7/h2-3,5H,4,12H2,1H3
InChIKeyUYWZJYZNUSEAGJ-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (CID 63628521) is [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(-c2ccsc2)no1.
What is the InChIKey of [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is UYWZJYZNUSEAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-6-9(18-8(4-12)13-6)11-14-10(15-16-11)7-2-3-17-5-7/h2-3,5H,4,12H2,1H3.
What are the key properties of [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63628521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).