3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole

C8H8ClNS2 — CID 156754606

IUPAC3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole
SMILESCC1SC=CN1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNS2/c1-6-10(4-5-11-6)8-3-2-7(9)12-8/h2-6H,1H3
InChIKeyDTXFPHVUOKLKTB-UHFFFAOYSA-N
MW217.75 g/mol
LogP3.77
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole

3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole (PubChem CID 156754606) has the molecular formula C8H8ClNS2 and a molecular weight of 217.75 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole
PubChem CID156754606
Molecular FormulaC8H8ClNS2
Molecular Weight217.75 g/mol
Exact Mass216.98
IUPAC Name3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole
SMILESCC1SC=CN1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNS2/c1-6-10(4-5-11-6)8-3-2-7(9)12-8/h2-6H,1H3
InChIKeyDTXFPHVUOKLKTB-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole (CID 156754606) is 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole is CC1SC=CN1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole?
The InChIKey is DTXFPHVUOKLKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS2/c1-6-10(4-5-11-6)8-3-2-7(9)12-8/h2-6H,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole?
3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole has a molecular weight of 217.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole is sourced from PubChem (CID 156754606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).