N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C18H19ClN4O4S2 — CID 15990076

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN4O4S2/c1-11-10-28-18-20-12(2)16(17(24)23(11)18)29(25,26)21-13-3-4-15(14(19)9-13)22-5-7-27-8-6-22/h3-4,9-10,21H,5-8H2,1-2H3
InChIKeyZCUMQQKRIKUWST-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.66
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15990076) has the molecular formula C18H19ClN4O4S2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15990076
Molecular FormulaC18H19ClN4O4S2
Molecular Weight454.96 g/mol
Exact Mass454.05
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN4O4S2/c1-11-10-28-18-20-12(2)16(17(24)23(11)18)29(25,26)21-13-3-4-15(14(19)9-13)22-5-7-27-8-6-22/h3-4,9-10,21H,5-8H2,1-2H3
InChIKeyZCUMQQKRIKUWST-UHFFFAOYSA-N
XLogP2.66
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 6463168
5-keto-3,7-dimethyl-N-(4-morpholinophenyl)thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990080
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990185
6-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004541
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135513587
7-Methyl-N-[4-(morpholin-4-YL)phenyl]-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 8099710
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 135454734
N-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
2,7-Dimethyl-N-[4-(morpholin-4-YL)phenyl]-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 16019520
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135457193
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 135445405
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20098619

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15990076) is N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is ZCUMQQKRIKUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S2/c1-11-10-28-18-20-12(2)16(17(24)23(11)18)29(25,26)21-13-3-4-15(14(19)9-13)22-5-7-27-8-6-22/h3-4,9-10,21H,5-8H2,1-2H3.
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 454.96 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15990076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).