2-methyl-4-thiophen-2-yl-1,3-thiazole

C8H7NS2 — CID 735733

IUPAC2-methyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)cs1
InChIInChI=1S/C8H7NS2/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3
InChIKeyHILMKDNBZMYHDJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.18
Rot. Bonds1

About 2-methyl-4-thiophen-2-yl-1,3-thiazole

2-methyl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 735733) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-yl-1,3-thiazole
PubChem CID735733
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name2-methyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)cs1
InChIInChI=1S/C8H7NS2/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3
InChIKeyHILMKDNBZMYHDJ-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-methyl-4-thiophen-2-yl-1,3-thiazole (CID 735733) is 2-methyl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-methyl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is HILMKDNBZMYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3.
What are the key properties of 2-methyl-4-thiophen-2-yl-1,3-thiazole?
2-methyl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 181.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 735733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).