2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide

C20H29N3OS — CID 70831671

IUPAC2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(=O)NCCC2CCCN2C)SC(c2c(C)cccc2C)N1
InChIInChI=1S/C20H29N3OS/c1-13-7-5-8-14(2)17(13)20-22-15(3)18(25-20)19(24)21-11-10-16-9-6-12-23(16)4/h5,7-8,16,20,22H,6,9-12H2,1-4H3,(H,21,24)
InChIKeyIRPJTXDQXRNYNM-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.47
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide

2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 70831671) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide
PubChem CID70831671
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1=C(C(=O)NCCC2CCCN2C)SC(c2c(C)cccc2C)N1
InChIInChI=1S/C20H29N3OS/c1-13-7-5-8-14(2)17(13)20-22-15(3)18(25-20)19(24)21-11-10-16-9-6-12-23(16)4/h5,7-8,16,20,22H,6,9-12H2,1-4H3,(H,21,24)
InChIKeyIRPJTXDQXRNYNM-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 59338603
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 99919601
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
CID 21241423
N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072004

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide (CID 70831671) is 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide is CC1=C(C(=O)NCCC2CCCN2C)SC(c2c(C)cccc2C)N1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is IRPJTXDQXRNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-13-7-5-8-14(2)17(13)20-22-15(3)18(25-20)19(24)21-11-10-16-9-6-12-23(16)4/h5,7-8,16,20,22H,6,9-12H2,1-4H3,(H,21,24).
What are the key properties of 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide?
2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70831671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).