[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone

C14H16N2O2S — CID 94699536

IUPAC[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(N(C)C)n2)cc1C
InChIInChI=1S/C14H16N2O2S/c1-9-7-10(5-6-12(9)18-4)13(17)11-8-19-14(15-11)16(2)3/h5-8H,1-4H3
InChIKeyVNXMWPAMDDMFLZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.76
Rot. Bonds4

About [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone

[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 94699536) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID94699536
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(N(C)C)n2)cc1C
InChIInChI=1S/C14H16N2O2S/c1-9-7-10(5-6-12(9)18-4)13(17)11-8-19-14(15-11)16(2)3/h5-8H,1-4H3
InChIKeyVNXMWPAMDDMFLZ-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
CID 91958331
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone (CID 94699536) is [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2csc(N(C)C)n2)cc1C.
What is the InChIKey of [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is VNXMWPAMDDMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-7-10(5-6-12(9)18-4)13(17)11-8-19-14(15-11)16(2)3/h5-8H,1-4H3.
What are the key properties of [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone?
[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 94699536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).