4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole

C13H15NOS2 — CID 116891814

IUPAC4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
SMILESCOc1csc(-c2ccc(SC(C)C)cc2)n1
InChIInChI=1S/C13H15NOS2/c1-9(2)17-11-6-4-10(5-7-11)13-14-12(15-3)8-16-13/h4-9H,1-3H3
InChIKeyLGVLAPUBIQEYKC-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.32
Rot. Bonds4

About 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole

4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole (PubChem CID 116891814) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
PubChem CID116891814
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
SMILESCOc1csc(-c2ccc(SC(C)C)cc2)n1
InChIInChI=1S/C13H15NOS2/c1-9(2)17-11-6-4-10(5-7-11)13-14-12(15-3)8-16-13/h4-9H,1-3H3
InChIKeyLGVLAPUBIQEYKC-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
CID 116864233
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 159193486
5-bromo-4-methyl-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116887917
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116891819
[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867448
4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
CID 83158313
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole (CID 116891814) is 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole is COc1csc(-c2ccc(SC(C)C)cc2)n1.
What is the InChIKey of 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole?
The InChIKey is LGVLAPUBIQEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-9(2)17-11-6-4-10(5-7-11)13-14-12(15-3)8-16-13/h4-9H,1-3H3.
What are the key properties of 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole?
4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole has a molecular weight of 265.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 116891814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).