N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C17H17N3O3S — CID 99927064

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C17H17N3O3S/c1-19(8-7-14(21)12-5-3-2-4-6-12)16(23)13-11-15(22)18-17-20(13)9-10-24-17/h2-6,9-11,14,21H,7-8H2,1H3/t14-/m1/s1
InChIKeyVNLDWWVOLCFFMV-CQSZACIVSA-N
MW343.41 g/mol
LogP1.95
Rot. Bonds5

About N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 99927064) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID99927064
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C17H17N3O3S/c1-19(8-7-14(21)12-5-3-2-4-6-12)16(23)13-11-15(22)18-17-20(13)9-10-24-17/h2-6,9-11,14,21H,7-8H2,1H3/t14-/m1/s1
InChIKeyVNLDWWVOLCFFMV-CQSZACIVSA-N
XLogP1.95
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 97118561
N-[(3S)-3-hydroxy-3-phenylpropyl]-N,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95128171
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
1-[(3R)-3-hydroxy-3-phenylpropyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
CID 125445842
1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[(5-methyl-1H-pyrazol-3-yl)methyl]urea
CID 126439318
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 99936498

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 99927064) is N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CN(CC[C@@H](O)c1ccccc1)C(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is VNLDWWVOLCFFMV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-19(8-7-14(21)12-5-3-2-4-6-12)16(23)13-11-15(22)18-17-20(13)9-10-24-17/h2-6,9-11,14,21H,7-8H2,1H3/t14-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 99927064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).