2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole

C8H8N2S2 — CID 130511793

IUPAC2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1nc(-c2cscn2)c(C)s1
InChIInChI=1S/C8H8N2S2/c1-5-8(10-6(2)12-5)7-3-11-4-9-7/h3-4H,1-2H3
InChIKeyQXYBHZAITROBEV-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.88
Rot. Bonds1

About 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole

2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole (PubChem CID 130511793) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
PubChem CID130511793
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
SMILESCc1nc(-c2cscn2)c(C)s1
InChIInChI=1S/C8H8N2S2/c1-5-8(10-6(2)12-5)7-3-11-4-9-7/h3-4H,1-2H3
InChIKeyQXYBHZAITROBEV-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole (CID 130511793) is 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole is Cc1nc(-c2cscn2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole?
The InChIKey is QXYBHZAITROBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-8(10-6(2)12-5)7-3-11-4-9-7/h3-4H,1-2H3.
What are the key properties of 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole?
2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole has a molecular weight of 196.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 130511793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).