3-ethyl-5-phenyl-1,2-thiazole

C11H11NS — CID 10035412

IUPAC3-ethyl-5-phenyl-1,2-thiazole
SMILESCCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C11H11NS/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyBTCZWTMXUSZGPV-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.37
Rot. Bonds2

About 3-ethyl-5-phenyl-1,2-thiazole

3-ethyl-5-phenyl-1,2-thiazole (PubChem CID 10035412) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-ethyl-5-phenyl-1,2-thiazole
PubChem CID10035412
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name3-ethyl-5-phenyl-1,2-thiazole
SMILESCCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C11H11NS/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyBTCZWTMXUSZGPV-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,1-Benzisothiazole, 3-methyl-
CID 529491
1,2-Benzisothiazole, 3-methyl-
CID 80321
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Phenyl-1,2-thiazol-5-amine
CID 12603879
5-Phenylisothiazole
CID 265813
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
3-Methyl-5-[(1-methylpiperidin-4-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457563
(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 44457760
3-Methyl-5-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457887
5-(4-Methylphenyl)-1,2-thiazole
CID 270012
3-Phenylisothiazole
CID 595044
4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
CID 608189

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-1,2-thiazole?
The IUPAC name of 3-ethyl-5-phenyl-1,2-thiazole (CID 10035412) is 3-ethyl-5-phenyl-1,2-thiazole.
What is the SMILES notation for 3-ethyl-5-phenyl-1,2-thiazole?
The canonical SMILES for 3-ethyl-5-phenyl-1,2-thiazole is CCc1cc(-c2ccccc2)sn1.
What is the InChIKey of 3-ethyl-5-phenyl-1,2-thiazole?
The InChIKey is BTCZWTMXUSZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-5-phenyl-1,2-thiazole?
3-ethyl-5-phenyl-1,2-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-1,2-thiazole is sourced from PubChem (CID 10035412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).