[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone

C14H16N2O3S — CID 116585796

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C14H16N2O3S/c1-8(15)14-16-11(7-20-14)13(17)10-6-9(18-2)4-5-12(10)19-3/h4-8H,15H2,1-3H3
InChIKeyUAZWTMFUXMMXHL-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.41
Rot. Bonds5

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone (PubChem CID 116585796) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
PubChem CID116585796
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C14H16N2O3S/c1-8(15)14-16-11(7-20-14)13(17)10-6-9(18-2)4-5-12(10)19-3/h4-8H,15H2,1-3H3
InChIKeyUAZWTMFUXMMXHL-UHFFFAOYSA-N
XLogP2.41
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
CID 82133581
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116585868
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116585639
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
CID 116585656
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
CID 114520653
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone (CID 116585796) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2csc(C(C)N)n2)c1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone?
The InChIKey is UAZWTMFUXMMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(15)14-16-11(7-20-14)13(17)10-6-9(18-2)4-5-12(10)19-3/h4-8H,15H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone has a molecular weight of 292.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116585796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).