4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole

C12H13NOS — CID 146556507

IUPAC4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole
SMILESC=C1SC=C(c2ccc(OC)cc2)N1C
InChIInChI=1S/C12H13NOS/c1-9-13(2)12(8-15-9)10-4-6-11(14-3)7-5-10/h4-8H,1H2,2-3H3
InChIKeyLNMIEZORDZOWQB-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole

4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole (PubChem CID 146556507) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole
PubChem CID146556507
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole
SMILESC=C1SC=C(c2ccc(OC)cc2)N1C
InChIInChI=1S/C12H13NOS/c1-9-13(2)12(8-15-9)10-4-6-11(14-3)7-5-10/h4-8H,1H2,2-3H3
InChIKeyLNMIEZORDZOWQB-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole
CID 142264472
3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 683044
5,6-bis(4-methoxyphenyl)tetrathiine
CID 102027357
1-ethyl-6-(4-methoxyphenyl)-3-methyl-2-methylidenepyridine
CID 149225272
1-(113C)methoxy-4-methylbenzene
CID 166176950
5-(4-bromophenyl)-4-[2-(4-methoxyphenyl)acetyl]-3H-1,3,4-thiadiazin-2-one
CID 991150
7-methoxy-3-(4-methylphenyl)-1,4-benzothiazine-4-carbonitrile
CID 102503278
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
(4-methoxyphenoxy) hypoiodite
CID 145476499
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2-(4-methoxyphenyl)-1,3-dimethylbenzimidazol-3-ium
CID 755174
N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 20709014

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole (CID 146556507) is 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole is C=C1SC=C(c2ccc(OC)cc2)N1C.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole?
The InChIKey is LNMIEZORDZOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-13(2)12(8-15-9)10-4-6-11(14-3)7-5-10/h4-8H,1H2,2-3H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole?
4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole is sourced from PubChem (CID 146556507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).