N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C19H20N4O2S — CID 97153544

IUPACN-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C19H20N4O2S/c1-21(12-14-7-8-22(13-14)15-5-3-2-4-6-15)18(25)16-11-17(24)20-19-23(16)9-10-26-19/h2-6,9-11,14H,7-8,12-13H2,1H3/t14-/m1/s1
InChIKeyFWUICJDVKUNWGF-CQSZACIVSA-N
MW368.46 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 97153544) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID97153544
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C19H20N4O2S/c1-21(12-14-7-8-22(13-14)15-5-3-2-4-6-15)18(25)16-11-17(24)20-19-23(16)9-10-26-19/h2-6,9-11,14H,7-8,12-13H2,1H3/t14-/m1/s1
InChIKeyFWUICJDVKUNWGF-CQSZACIVSA-N
XLogP2.35
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
CID 96574954
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 74248399
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 97153544) is N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is FWUICJDVKUNWGF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-21(12-14-7-8-22(13-14)15-5-3-2-4-6-15)18(25)16-11-17(24)20-19-23(16)9-10-26-19/h2-6,9-11,14H,7-8,12-13H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 97153544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).