(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone

C13H13NO2S — CID 102361640

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C13H13NO2S/c1-8-9(2)17-13(14-8)12(15)10-4-6-11(16-3)7-5-10/h4-7H,1-3H3
InChIKeyKIXJNBONSBSPES-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.00
Rot. Bonds3

About (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone

(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 102361640) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone
PubChem CID102361640
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2nc(C)c(C)s2)cc1
InChIInChI=1S/C13H13NO2S/c1-8-9(2)17-13(14-8)12(15)10-4-6-11(16-3)7-5-10/h4-7H,1-3H3
InChIKeyKIXJNBONSBSPES-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone (CID 102361640) is (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2nc(C)c(C)s2)cc1.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is KIXJNBONSBSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-9(2)17-13(14-8)12(15)10-4-6-11(16-3)7-5-10/h4-7H,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone?
(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 247.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 102361640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).