(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone

C12H12N2O3S — CID 82133581

IUPAC(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(N)n2)c(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-7-3-4-8(10(5-7)17-2)11(15)9-6-18-12(13)14-9/h3-6H,1-2H3,(H2,13,14)
InChIKeyNBVPEPITSKFJQG-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.97
Rot. Bonds4

About (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone

(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 82133581) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID82133581
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(N)n2)c(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-7-3-4-8(10(5-7)17-2)11(15)9-6-18-12(13)14-9/h3-6H,1-2H3,(H2,13,14)
InChIKeyNBVPEPITSKFJQG-UHFFFAOYSA-N
XLogP1.97
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
2,4-dimethoxybenzoate
CID 6947027
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114971200

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone (CID 82133581) is (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2csc(N)n2)c(OC)c1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is NBVPEPITSKFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-7-3-4-8(10(5-7)17-2)11(15)9-6-18-12(13)14-9/h3-6H,1-2H3,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone?
(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 264.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 82133581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).