2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine

C8H8N2S2 — CID 83107283

IUPAC2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine
SMILESCc1cscc1-c1nc(N)cs1
InChIInChI=1S/C8H8N2S2/c1-5-2-11-3-6(5)8-10-7(9)4-12-8/h2-4H,9H2,1H3
InChIKeyQPBVMZYCZPJQPL-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.76
Rot. Bonds1

About 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine

2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine (PubChem CID 83107283) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine
PubChem CID83107283
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine
SMILESCc1cscc1-c1nc(N)cs1
InChIInChI=1S/C8H8N2S2/c1-5-2-11-3-6(5)8-10-7(9)4-12-8/h2-4H,9H2,1H3
InChIKeyQPBVMZYCZPJQPL-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine (CID 83107283) is 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine is Cc1cscc1-c1nc(N)cs1.
What is the InChIKey of 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine?
The InChIKey is QPBVMZYCZPJQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-2-11-3-6(5)8-10-7(9)4-12-8/h2-4H,9H2,1H3.
What are the key properties of 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine?
2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine has a molecular weight of 196.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 83107283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).