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

C23H21N3O2S — CID 4062159

IUPACN-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)n12
InChIInChI=1S/C23H21N3O2S/c1-16-15-29-23-25-14-20(22(28)26(16)23)21(27)24-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,24,27)
InChIKeyHLPJFHBGMSEXMK-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.02
Rot. Bonds6

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

N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4062159) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4062159
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)n12
InChIInChI=1S/C23H21N3O2S/c1-16-15-29-23-25-14-20(22(28)26(16)23)21(27)24-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,24,27)
InChIKeyHLPJFHBGMSEXMK-UHFFFAOYSA-N
XLogP4.02
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853372
5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470251
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
3-methyl-5-oxo-N-(2-phenylethyl)-[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
3-methyl-5-oxo-N-(1-phenylethyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5204342
2-(4-methylpiperidin-1-yl)-5-oxo-N-(2-phenylethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16025900
2-(diethylamino)-N-[2-(4-methylphenyl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16026250
5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4458479
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4369940
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135519949

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4062159) is N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)n12.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HLPJFHBGMSEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-15-29-23-25-14-20(22(28)26(16)23)21(27)24-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,24,27).
What are the key properties of N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4062159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).