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

C10H9NS — CID 4015232

IUPAC4-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2cscn2)c1
InChIInChI=1S/C10H9NS/c1-8-3-2-4-9(5-8)10-6-12-7-11-10/h2-7H,1H3
InChIKeyDTQQALVRFJPRTN-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.12
Rot. Bonds1

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

4-(3-methylphenyl)-1,3-thiazole (PubChem CID 4015232) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-1,3-thiazole
PubChem CID4015232
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2cscn2)c1
InChIInChI=1S/C10H9NS/c1-8-3-2-4-9(5-8)10-6-12-7-11-10/h2-7H,1H3
InChIKeyDTQQALVRFJPRTN-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-1,3-thiazole (CID 4015232) is 4-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-1,3-thiazole is Cc1cccc(-c2cscn2)c1.
What is the InChIKey of 4-(3-methylphenyl)-1,3-thiazole?
The InChIKey is DTQQALVRFJPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-8-3-2-4-9(5-8)10-6-12-7-11-10/h2-7H,1H3.
What are the key properties of 4-(3-methylphenyl)-1,3-thiazole?
4-(3-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 4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 4015232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).