2-(3-propan-2-ylphenoxy)-1,3-thiazole

C12H13NOS — CID 177129402

IUPAC2-(3-propan-2-ylphenoxy)-1,3-thiazole
SMILESCC(C)c1cccc(Oc2nccs2)c1
InChIInChI=1S/C12H13NOS/c1-9(2)10-4-3-5-11(8-10)14-12-13-6-7-15-12/h3-9H,1-2H3
InChIKeySEGFXTSPZZHERY-UHFFFAOYSA-N
MW219.31 g/mol
LogP4.06
Rot. Bonds3

About 2-(3-propan-2-ylphenoxy)-1,3-thiazole

2-(3-propan-2-ylphenoxy)-1,3-thiazole (PubChem CID 177129402) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-1,3-thiazole
PubChem CID177129402
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(3-propan-2-ylphenoxy)-1,3-thiazole
SMILESCC(C)c1cccc(Oc2nccs2)c1
InChIInChI=1S/C12H13NOS/c1-9(2)10-4-3-5-11(8-10)14-12-13-6-7-15-12/h3-9H,1-2H3
InChIKeySEGFXTSPZZHERY-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-propan-2-ylphenoxy)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]-1,3-thiazole
CID 91458393
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
4-(1,3-thiazol-2-yloxy)benzene-1,2-diamine
CID 21482771
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 112731172
CID 91869714
CID 91869714
2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
CID 173078203
[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 55821876

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-1,3-thiazole?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-1,3-thiazole (CID 177129402) is 2-(3-propan-2-ylphenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-1,3-thiazole?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-1,3-thiazole is CC(C)c1cccc(Oc2nccs2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-1,3-thiazole?
The InChIKey is SEGFXTSPZZHERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9(2)10-4-3-5-11(8-10)14-12-13-6-7-15-12/h3-9H,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)-1,3-thiazole?
2-(3-propan-2-ylphenoxy)-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-1,3-thiazole is sourced from PubChem (CID 177129402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).