5-phenyl-2-propan-2-yl-1,3-thiazole

C12H13NS — CID 18340623

IUPAC5-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyZBBRBLPLNNKBEW-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.93
Rot. Bonds2

About 5-phenyl-2-propan-2-yl-1,3-thiazole

5-phenyl-2-propan-2-yl-1,3-thiazole (PubChem CID 18340623) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yl-1,3-thiazole
PubChem CID18340623
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name5-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyZBBRBLPLNNKBEW-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
5-Phenyl-thiazol-2-ylamine
CID 873119
5-Phenylthiazole
CID 595209
(5-Phenylthiazol-2-yl)methanol
CID 273543
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
2-Bromo-5-phenyl-1,3-thiazole
CID 10728723
2-Benzyl-1,3-thiazole
CID 21183829
5-(1H-inden-1-ylmethyl)-1,3-thiazole
CID 42628292
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
[5-(3-Methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155549747

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-phenyl-2-propan-2-yl-1,3-thiazole (CID 18340623) is 5-phenyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-phenyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-phenyl-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(-c2ccccc2)s1.
What is the InChIKey of 5-phenyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is ZBBRBLPLNNKBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5-phenyl-2-propan-2-yl-1,3-thiazole?
5-phenyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18340623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).