4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole

C7H6N2S2 — CID 91325706

IUPAC4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cscn2)n1
InChIInChI=1S/C7H6N2S2/c1-5-2-11-7(9-5)6-3-10-4-8-6/h2-4H,1H3
InChIKeyNCZVNIRNNFAEQV-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.58
Rot. Bonds1

About 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole

4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole (PubChem CID 91325706) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
PubChem CID91325706
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1csc(-c2cscn2)n1
InChIInChI=1S/C7H6N2S2/c1-5-2-11-7(9-5)6-3-10-4-8-6/h2-4H,1H3
InChIKeyNCZVNIRNNFAEQV-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole (CID 91325706) is 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole is Cc1csc(-c2cscn2)n1.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole?
The InChIKey is NCZVNIRNNFAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-5-2-11-7(9-5)6-3-10-4-8-6/h2-4H,1H3.
What are the key properties of 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole?
4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole has a molecular weight of 182.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 91325706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).