N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

C17H22N4O2S — CID 129344186

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESCc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C17H22N4O2S/c1-13-15(24-12-19-13)10-21(9-14-5-6-18-8-14)17(23)11-20-7-3-2-4-16(20)22/h2-4,7,12,14,18H,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyYRNRTMWMHJKSHG-CQSZACIVSA-N
MW346.46 g/mol
LogP1.25
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (PubChem CID 129344186) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
PubChem CID129344186
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESCc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C17H22N4O2S/c1-13-15(24-12-19-13)10-21(9-14-5-6-18-8-14)17(23)11-20-7-3-2-4-16(20)22/h2-4,7,12,14,18H,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyYRNRTMWMHJKSHG-CQSZACIVSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 128993742
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 154740261
2-(5-amino-2-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280264
5-Amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one
CID 63841607
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63842389
5-Amino-1-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]pyridin-2-one
CID 63842789
1-Ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
CID 65719986
1-Methyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
CID 65719987
5-[(4-Methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyridin-2-one
CID 65720173
1-(2-Methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
CID 65720710
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 79278026
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765352

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (CID 129344186) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cn1ccccc1=O.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is YRNRTMWMHJKSHG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-15(24-12-19-13)10-21(9-14-5-6-18-8-14)17(23)11-20-7-3-2-4-16(20)22/h2-4,7,12,14,18H,5-6,8-11H2,1H3/t14-/m1/s1.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 129344186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).