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

C12H13NS — CID 604821

IUPAC4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H13NS/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIIINACKGVRAZSE-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.93
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-1,3-thiazole

4-phenyl-2-propan-2-yl-1,3-thiazole (PubChem CID 604821) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-1,3-thiazole
PubChem CID604821
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H13NS/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIIINACKGVRAZSE-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

3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 166003583
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-phenyl-2-propan-2-yl-1,3-thiazole (CID 604821) is 4-phenyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is IIINACKGVRAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-1,3-thiazole?
4-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 4-phenyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 604821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).