3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

C19H25N3O2S — CID 110398093

IUPAC3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-4-15(5-8-17)6-9-18(23)20-11-10-16-14-25-19(21-16)22-12-2-3-13-22/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H,20,23)
InChIKeyAMJYLSIKVSLZAQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.04
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110398093) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110398093
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-7-4-15(5-8-17)6-9-18(23)20-11-10-16-14-25-19(21-16)22-12-2-3-13-22/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H,20,23)
InChIKeyAMJYLSIKVSLZAQ-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N-[3-(4-methoxyphenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55921192
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110398093) is 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is COc1ccc(CCC(=O)NCCc2csc(N3CCCC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is AMJYLSIKVSLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-17-7-4-15(5-8-17)6-9-18(23)20-11-10-16-14-25-19(21-16)22-12-2-3-13-22/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H,20,23).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110398093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).