2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole

C9H9NS2 — CID 20818015

IUPAC2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C9H9NS2/c1-6-9(10-7(2)12-6)8-4-3-5-11-8/h3-5H,1-2H3
InChIKeySKVVLCXLQLJNCZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.49
Rot. Bonds1

About 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole

2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 20818015) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole
PubChem CID20818015
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C9H9NS2/c1-6-9(10-7(2)12-6)8-4-3-5-11-8/h3-5H,1-2H3
InChIKeySKVVLCXLQLJNCZ-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole (CID 20818015) is 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is SKVVLCXLQLJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-6-9(10-7(2)12-6)8-4-3-5-11-8/h3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole?
2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 195.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 20818015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).