N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide

C24H20ClN3O4S — CID 90949301

IUPACN-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
SMILESCc1cn2c(=O)c(OCc3ccccc3)c(C(=O)NCC(=O)Cc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H20ClN3O4S/c1-15-13-28-23(31)21(32-14-17-5-3-2-4-6-17)20(27-24(28)33-15)22(30)26-12-19(29)11-16-7-9-18(25)10-8-16/h2-10,13H,11-12,14H2,1H3,(H,26,30)
InChIKeyOTMKUAIUXNHNFL-UHFFFAOYSA-N
MW481.96 g/mol
LogP3.84
Rot. Bonds8

About N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide

N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide (PubChem CID 90949301) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
PubChem CID90949301
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC NameN-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
SMILESCc1cn2c(=O)c(OCc3ccccc3)c(C(=O)NCC(=O)Cc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H20ClN3O4S/c1-15-13-28-23(31)21(32-14-17-5-3-2-4-6-17)20(27-24(28)33-15)22(30)26-12-19(29)11-16-7-9-18(25)10-8-16/h2-10,13H,11-12,14H2,1H3,(H,26,30)
InChIKeyOTMKUAIUXNHNFL-UHFFFAOYSA-N
XLogP3.84
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]-1-methyl-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxamide
CID 58126854
5-(4-Chloro-3-fluorophenyl)-1-(2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58514456
N-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 67004781
6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide
CID 67005205
6-butoxy-N-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 70672043
6-Benzyloxy-1-methyl-5-oxo-1,5-dihydro-imidazo[1,2-a]pyrimidine-7-carboxylic acid [3-(4-chloro-phenyl)-2-oxo-propyl]-amide
CID 58126891
6-Benzyloxy-1-methyl-5-oxo-1,5-dihydro-imidazo[1,2-a]pyrimidine-7-carboxylic acid [3-(3,4-dichloro-phenyl)-2-oxo-propyl]-amide
CID 58126977
5-(3,4-Dichlorophenyl)-1-(2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58514442
5-(4-Chlorophenyl)-1-(2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)pentane-1,4-dione
CID 58514448
3-benzyloxy-7-morpholin-4-yl-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid [3-(4-chloro-phenyl)-2-oxo-propyl]-amide
CID 66953269
6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(3,4-dichloro-phenyl)-2-oxo-propyl]-amide
CID 67005195
6-butoxy-N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 70671924

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide (CID 90949301) is N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide is Cc1cn2c(=O)c(OCc3ccccc3)c(C(=O)NCC(=O)Cc3ccc(Cl)cc3)nc2s1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The InChIKey is OTMKUAIUXNHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c1-15-13-28-23(31)21(32-14-17-5-3-2-4-6-17)20(27-24(28)33-15)22(30)26-12-19(29)11-16-7-9-18(25)10-8-16/h2-10,13H,11-12,14H2,1H3,(H,26,30).
What are the key properties of N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 90949301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).