5-(4-methylphenyl)-1,3-thiazole

C10H9NS — CID 15532483

IUPAC5-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2cncs2)cc1
InChIInChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
InChIKeyLOIFPOZPPAJZOY-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.12
Rot. Bonds1

About 5-(4-methylphenyl)-1,3-thiazole

5-(4-methylphenyl)-1,3-thiazole (PubChem CID 15532483) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-thiazole
PubChem CID15532483
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name5-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2cncs2)cc1
InChIInChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
InChIKeyLOIFPOZPPAJZOY-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
5-Phenyl-thiazol-2-ylamine
CID 873119
CE-123
CID 118871455
5-Phenylthiazole
CID 595209
(E)-2-methyl-3-[4-(1,3-thiazol-5-ylmethyl)phenyl]prop-2-enoic acid
CID 13727081
(5-Phenylthiazol-2-yl)methanol
CID 273543
5-((3-Methylphenyl)methyl)-1,3-thiazol-2-amine
CID 708605
5-[(4-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 732249
4-[(2-Amino-1,3-thiazol-5-yl)methyl]benzonitrile
CID 16769502
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
5-Methyl-2-phenyl-1,3-thiazole
CID 551875

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-methylphenyl)-1,3-thiazole (CID 15532483) is 5-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2cncs2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-thiazole?
The InChIKey is LOIFPOZPPAJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3.
What are the key properties of 5-(4-methylphenyl)-1,3-thiazole?
5-(4-methylphenyl)-1,3-thiazole has a molecular weight of 175.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 15532483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).