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

C13H15NOS — CID 126537806

IUPAC5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H15NOS/c1-9(2)13-14-8-12(16-13)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3
InChIKeyQEKVDBIHWCQNRP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.94
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 126537806) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID126537806
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2cnc(C(C)C)s2)cc1
InChIInChI=1S/C13H15NOS/c1-9(2)13-14-8-12(16-13)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3
InChIKeyQEKVDBIHWCQNRP-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (CID 126537806) is 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is COc1ccc(-c2cnc(C(C)C)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is QEKVDBIHWCQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(2)13-14-8-12(16-13)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 126537806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).