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

C22H21N3O2S — CID 3471093

IUPACN-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C22H21N3O2S/c26-20(19-15-24-22-25(21(19)27)13-14-28-22)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,23,26)
InChIKeyYNQPKXUQXNXDEQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.30
Rot. Bonds6

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

N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3471093) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3471093
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C22H21N3O2S/c26-20(19-15-24-22-25(21(19)27)13-14-28-22)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,23,26)
InChIKeyYNQPKXUQXNXDEQ-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3471093) is N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YNQPKXUQXNXDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-20(19-15-24-22-25(21(19)27)13-14-28-22)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,23,26).
What are the key properties of N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3,3-diphenylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.30, 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)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3471093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).