2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C23H27N3O4S — CID 42922685

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)c1
InChIInChI=1S/C23H27N3O4S/c1-26(2)19(15-7-6-8-17(11-15)28-3)13-24-22(27)18-14-31-23(25-18)16-9-10-20(29-4)21(12-16)30-5/h6-12,14,19H,13H2,1-5H3,(H,24,27)
InChIKeyJNTQQJLCXVYSDX-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.87
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42922685) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID42922685
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)c1
InChIInChI=1S/C23H27N3O4S/c1-26(2)19(15-7-6-8-17(11-15)28-3)13-24-22(27)18-14-31-23(25-18)16-9-10-20(29-4)21(12-16)30-5/h6-12,14,19H,13H2,1-5H3,(H,24,27)
InChIKeyJNTQQJLCXVYSDX-UHFFFAOYSA-N
XLogP3.87
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 27231015
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-N-(4-phenoxybutyl)-1,3-thiazole-4-carboxamide
CID 24666063
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 43064912
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 51647272
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 42922685) is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1cccc(C(CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JNTQQJLCXVYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-26(2)19(15-7-6-8-17(11-15)28-3)13-24-22(27)18-14-31-23(25-18)16-9-10-20(29-4)21(12-16)30-5/h6-12,14,19H,13H2,1-5H3,(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42922685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).