ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole

C13H17NOS — CID 145078481

IUPACethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
SMILESCC.COc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C11H11NOS.C2H6/c1-8-3-5-9(6-4-8)10-7-14-11(12-10)13-2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyDYCLEBVQWPBXAC-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.15
Rot. Bonds2

About ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole

ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 145078481) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
PubChem CID145078481
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Nameethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
SMILESCC.COc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C11H11NOS.C2H6/c1-8-3-5-9(6-4-8)10-7-14-11(12-10)13-2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyDYCLEBVQWPBXAC-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole (CID 145078481) is ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole is CC.COc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is DYCLEBVQWPBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS.C2H6/c1-8-3-5-9(6-4-8)10-7-14-11(12-10)13-2;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole?
ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 235.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 145078481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).