4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole

C14H17NOS — CID 113253756

IUPAC4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCCC(C)c1csc(-c2ccccc2OC)n1
InChIInChI=1S/C14H17NOS/c1-4-10(2)12-9-17-14(15-12)11-7-5-6-8-13(11)16-3/h5-10H,4H2,1-3H3
InChIKeyPNEXDIUGIBWZBV-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.33
Rot. Bonds4

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

4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 113253756) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID113253756
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCCC(C)c1csc(-c2ccccc2OC)n1
InChIInChI=1S/C14H17NOS/c1-4-10(2)12-9-17-14(15-12)11-7-5-6-8-13(11)16-3/h5-10H,4H2,1-3H3
InChIKeyPNEXDIUGIBWZBV-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole (CID 113253756) is 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole is CCC(C)c1csc(-c2ccccc2OC)n1.
What is the InChIKey of 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is PNEXDIUGIBWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-4-10(2)12-9-17-14(15-12)11-7-5-6-8-13(11)16-3/h5-10H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole?
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 113253756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).