5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H17N3O2S — CID 3245413

IUPAC5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H17N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h1-3,5-6,11H,4,7-10H2,(H,17,20)
InChIKeyOPQTYEFBCWNNLJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.71
Rot. Bonds5

About 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3245413) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3245413
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H17N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h1-3,5-6,11H,4,7-10H2,(H,17,20)
InChIKeyOPQTYEFBCWNNLJ-UHFFFAOYSA-N
XLogP1.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dioxo-1-(2-phenylethyl)-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 4370839
7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853372
N-benzyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235738
5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470251
5-(2-Oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470371
6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 2999100
N-(3,3-diphenylpropyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255536
N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4062159
N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
3-methyl-5-oxo-N-(2-phenylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4182430
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4414779

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3245413) is 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OPQTYEFBCWNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h1-3,5-6,11H,4,7-10H2,(H,17,20).
What are the key properties of 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-phenylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3245413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).