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

C8H7NS2 — CID 10035242

IUPAC5-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1cnc(-c2cccs2)s1
InChIInChI=1S/C8H7NS2/c1-6-5-9-8(11-6)7-3-2-4-10-7/h2-5H,1H3
InChIKeyBRSNEVDRFLHONJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.18
Rot. Bonds1

About 5-methyl-2-thiophen-2-yl-1,3-thiazole

5-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 10035242) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID10035242
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name5-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1cnc(-c2cccs2)s1
InChIInChI=1S/C8H7NS2/c1-6-5-9-8(11-6)7-3-2-4-10-7/h2-5H,1H3
InChIKeyBRSNEVDRFLHONJ-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 5-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-2-thiophen-2-yl-1,3-thiazole (CID 10035242) is 5-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-1,3-thiazole is Cc1cnc(-c2cccs2)s1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is BRSNEVDRFLHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-6-5-9-8(11-6)7-3-2-4-10-7/h2-5H,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-1,3-thiazole?
5-methyl-2-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 5-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 10035242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).