2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide

C17H20N4O2S — CID 91839800

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12-19-15(11-24-12)8-17(23)21(9-13-4-6-18-7-5-13)10-14-2-3-16(22)20-14/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeySZHYUEXNRXUYKH-AWEZNQCLSA-N
MW344.44 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 91839800) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID91839800
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12-19-15(11-24-12)8-17(23)21(9-13-4-6-18-7-5-13)10-14-2-3-16(22)20-14/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeySZHYUEXNRXUYKH-AWEZNQCLSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 70772054
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 74247243
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 26354544
1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 50979526
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
CID 156608795
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
2-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide
CID 131891662
N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
CID 50965827

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide (CID 91839800) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide is Cc1nc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SZHYUEXNRXUYKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-19-15(11-24-12)8-17(23)21(9-13-4-6-18-7-5-13)10-14-2-3-16(22)20-14/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 91839800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).