2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole

C12H10N2S2 — CID 139261276

IUPAC2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1cc(C2=NCCS2)cc(-c2nccs2)c1
InChIInChI=1S/C12H10N2S2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-4,6,8H,5,7H2
InChIKeyCGBDLHZXFCQKNR-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.30
Rot. Bonds2

About 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole

2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole (PubChem CID 139261276) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
PubChem CID139261276
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1cc(C2=NCCS2)cc(-c2nccs2)c1
InChIInChI=1S/C12H10N2S2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-4,6,8H,5,7H2
InChIKeyCGBDLHZXFCQKNR-UHFFFAOYSA-N
XLogP3.30
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole (CID 139261276) is 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole is c1cc(C2=NCCS2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The InChIKey is CGBDLHZXFCQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-4,6,8H,5,7H2.
What are the key properties of 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 139261276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).