1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone

C16H20N2O3S — CID 963393

IUPAC1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-10-15(11(2)19)22-16(18-10)17-8-7-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKeyBVLBVSFMHWVPQJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.33
Rot. Bonds7

About 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 963393) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID963393
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-10-15(11(2)19)22-16(18-10)17-8-7-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKeyBVLBVSFMHWVPQJ-UHFFFAOYSA-N
XLogP3.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
5-[(3,4-Dimethoxyphenyl)carbonyl]-2-N-isopropyl-1,3-thiazole-2,4-diamine
CID 660396
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
N~2~-[2-(3,4-dimethoxyphenyl)ethyl]-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1108286
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
[4-Amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 660516
2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1222836
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 127040286
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2438786

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 963393) is 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OC.
What is the InChIKey of 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is BVLBVSFMHWVPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-15(11(2)19)22-16(18-10)17-8-7-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 963393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).