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

C12H8N2S2 — CID 901538

IUPAC2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1csc(-c2ccc(-c3nccs3)cc2)n1
InChIInChI=1S/C12H8N2S2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H
InChIKeyOVJDELRUCUZAHH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.93
Rot. Bonds2

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

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole (PubChem CID 901538) has the molecular formula C12H8N2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
PubChem CID901538
Molecular FormulaC12H8N2S2
Molecular Weight244.34 g/mol
Exact Mass244.01
IUPAC Name2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
SMILESc1csc(-c2ccc(-c3nccs3)cc2)n1
InChIInChI=1S/C12H8N2S2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H
InChIKeyOVJDELRUCUZAHH-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
ethane;1-iodo-4-methylbenzene;bis(2-(4-methylphenyl)-1,3-thiazole)
CID 143420197
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
2-(4-methylsulfinylphenyl)-1,3-thiazole
CID 123855062
[4-(1,3-thiazol-2-yl)phenoxy]boronic acid
CID 142729083
4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
CID 151644612
2-(4-cyclohexylphenyl)-1,3-thiazole
CID 82085283
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole
CID 91119367
N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole (CID 901538) is 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole is c1csc(-c2ccc(-c3nccs3)cc2)n1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
The InChIKey is OVJDELRUCUZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8H.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole?
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole has a molecular weight of 244.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).