2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

C20H27N3O3S — CID 43064912

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CNC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)N1CCCC1
InChIInChI=1S/C20H27N3O3S/c1-4-15(23-9-5-6-10-23)12-21-19(24)16-13-27-20(22-16)14-7-8-17(25-2)18(11-14)26-3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyPDSKFOBUZNTGKQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.43
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 43064912) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID43064912
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CNC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)N1CCCC1
InChIInChI=1S/C20H27N3O3S/c1-4-15(23-9-5-6-10-23)12-21-19(24)16-13-27-20(22-16)14-7-8-17(25-2)18(11-14)26-3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyPDSKFOBUZNTGKQ-UHFFFAOYSA-N
XLogP3.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 27231015
2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 71896196
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42922685
2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 43044429
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]butanedioic acid
CID 155964490

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (CID 43064912) is 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is CCC(CNC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)N1CCCC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PDSKFOBUZNTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-15(23-9-5-6-10-23)12-21-19(24)16-13-27-20(22-16)14-7-8-17(25-2)18(11-14)26-3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).