5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole

C13H15NS — CID 23571127

IUPAC5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H15NS/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyVTWBIFMTHAYNGG-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.24
Rot. Bonds2

About 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole

5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 23571127) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID23571127
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H15NS/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyVTWBIFMTHAYNGG-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole (CID 23571127) is 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole is Cc1ccc(-c2cnc(C(C)C)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is VTWBIFMTHAYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11/h4-9H,1-3H3.
What are the key properties of 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole?
5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 23571127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).