7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C26H26N4O2S — CID 42827568

IUPAC7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)N2C(CC(=O)N3CCCC3)=CSC2=N1
InChIInChI=1S/C26H26N4O2S/c1-18-23(25(32)28-20-12-6-3-7-13-20)24(19-10-4-2-5-11-19)30-21(17-33-26(30)27-18)16-22(31)29-14-8-9-15-29/h2-7,10-13,17,24H,8-9,14-16H2,1H3,(H,28,32)
InChIKeyIWARMLNMYRDGDS-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.91
Rot. Bonds5

About 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42827568) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42827568
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)N2C(CC(=O)N3CCCC3)=CSC2=N1
InChIInChI=1S/C26H26N4O2S/c1-18-23(25(32)28-20-12-6-3-7-13-20)24(19-10-4-2-5-11-19)30-21(17-33-26(30)27-18)16-22(31)29-14-8-9-15-29/h2-7,10-13,17,24H,8-9,14-16H2,1H3,(H,28,32)
InChIKeyIWARMLNMYRDGDS-UHFFFAOYSA-N
XLogP4.91
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,5-dimethylphenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46000014
(5R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98210148
(5S)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98432290
(5S)-5-(3-methoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98432046
3-[2-(butan-2-ylamino)-2-oxoethyl]-7-methyl-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827562
ethyl 1-[2-[5-(2-chlorophenyl)-7-methyl-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42827793
7-methyl-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827557
(5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98369915
methyl 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42882574
3-[2-(benzylamino)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832917
(5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98356117
(5R)-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98356388

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42827568) is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)N2C(CC(=O)N3CCCC3)=CSC2=N1.
What is the InChIKey of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IWARMLNMYRDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18-23(25(32)28-20-12-6-3-7-13-20)24(19-10-4-2-5-11-19)30-21(17-33-26(30)27-18)16-22(31)29-14-8-9-15-29/h2-7,10-13,17,24H,8-9,14-16H2,1H3,(H,28,32).
What are the key properties of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42827568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).