2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C20H25N3O2S — CID 59338603

IUPAC2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-18(19(25)21-10-9-17-8-5-11-23(17)3)26-20(22-13)16-7-4-6-15(12-16)14(2)24/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,21,25)
InChIKeyNWQUWZXKYRGDCY-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 59338603) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID59338603
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-18(19(25)21-10-9-17-8-5-11-23(17)3)26-20(22-13)16-7-4-6-15(12-16)14(2)24/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,21,25)
InChIKeyNWQUWZXKYRGDCY-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 59338603) is 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1.
What is the InChIKey of 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NWQUWZXKYRGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13-18(19(25)21-10-9-17-8-5-11-23(17)3)26-20(22-13)16-7-4-6-15(12-16)14(2)24/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,21,25).
What are the key properties of 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).