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

C12H13NS — CID 609021

IUPAC2-phenyl-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyDIBUSZLHFVADTN-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.93
Rot. Bonds2

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

2-phenyl-5-propan-2-yl-1,3-thiazole (PubChem CID 609021) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-propan-2-yl-1,3-thiazole
PubChem CID609021
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-phenyl-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C12H13NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyDIBUSZLHFVADTN-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-phenyl-5-propan-2-yl-1,3-thiazole (CID 609021) is 2-phenyl-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-5-propan-2-yl-1,3-thiazole?
The InChIKey is DIBUSZLHFVADTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-phenyl-5-propan-2-yl-1,3-thiazole?
2-phenyl-5-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 2-phenyl-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 609021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).