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

C12H12N2S2 — CID 102485039

IUPAC4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESC1=NC(c2ccc(C3CSC=N3)cc2)CS1
InChIInChI=1S/C12H12N2S2/c1-2-10(12-6-16-8-14-12)4-3-9(1)11-5-15-7-13-11/h1-4,7-8,11-12H,5-6H2
InChIKeyGYFHCUZRBXRVGY-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.32
Rot. Bonds2

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

4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 102485039) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID102485039
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESC1=NC(c2ccc(C3CSC=N3)cc2)CS1
InChIInChI=1S/C12H12N2S2/c1-2-10(12-6-16-8-14-12)4-3-9(1)11-5-15-7-13-11/h1-4,7-8,11-12H,5-6H2
InChIKeyGYFHCUZRBXRVGY-UHFFFAOYSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole (CID 102485039) is 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole is C1=NC(c2ccc(C3CSC=N3)cc2)CS1.
What is the InChIKey of 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is GYFHCUZRBXRVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-2-10(12-6-16-8-14-12)4-3-9(1)11-5-15-7-13-11/h1-4,7-8,11-12H,5-6H2.
What are the key properties of 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole?
4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 248.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102485039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).