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

C10H6N2S3 — CID 173428603

IUPAC5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2ncsc2-c2nccs2)c1
InChIInChI=1S/C10H6N2S3/c1-2-7(13-4-1)8-9(15-6-12-8)10-11-3-5-14-10/h1-6H
InChIKeyIBQFPNOGMOBRJA-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.00
Rot. Bonds2

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

5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 173428603) has the molecular formula C10H6N2S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID173428603
Molecular FormulaC10H6N2S3
Molecular Weight250.37 g/mol
Exact Mass249.97
IUPAC Name5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2ncsc2-c2nccs2)c1
InChIInChI=1S/C10H6N2S3/c1-2-7(13-4-1)8-9(15-6-12-8)10-11-3-5-14-10/h1-6H
InChIKeyIBQFPNOGMOBRJA-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole (CID 173428603) is 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole is c1csc(-c2ncsc2-c2nccs2)c1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is IBQFPNOGMOBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S3/c1-2-7(13-4-1)8-9(15-6-12-8)10-11-3-5-14-10/h1-6H.
What are the key properties of 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole?
5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 250.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 173428603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).