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

C8H7NS2 — CID 5186862

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1csc(-c2cccs2)n1
InChIInChI=1S/C8H7NS2/c1-6-5-11-8(9-6)7-3-2-4-10-7/h2-5H,1H3
InChIKeyJFNMEDQHLIJSKA-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.18
Rot. Bonds1

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

4-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 5186862) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID5186862
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1csc(-c2cccs2)n1
InChIInChI=1S/C8H7NS2/c1-6-5-11-8(9-6)7-3-2-4-10-7/h2-5H,1H3
InChIKeyJFNMEDQHLIJSKA-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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Related Compounds

4-(2-Thienyl)-1,3-thiazol-2-amine
CID 243973
Thiazole, 2-methyl-4-(2-(2-thienyl)ethynyl)-
CID 11535796
2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 2738462
N,N-Diethyl-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide
CID 2795581
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}thiomorpholine
CID 2813472
4-(5-Methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 2063929
5-Methylsulfanyl-4-(4-methyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 9903519
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
[2-(2-Thienyl)-1,3-thiazol-4-YL]methanol
CID 2776319
2,4-Dithiophen-2-ylthiazole
CID 2546578
4-(5-Ethylthiophen-2-yl)-1,3-thiazol-2-amine
CID 842105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole (CID 5186862) is 4-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazole is Cc1csc(-c2cccs2)n1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is JFNMEDQHLIJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-6-5-11-8(9-6)7-3-2-4-10-7/h2-5H,1H3.
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazole?
4-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 4-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 5186862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).