N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C16H17N3O4S2 — CID 20901058

IUPACN-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1
InChIInChI=1S/C16H17N3O4S2/c1-10-9-19-15(20)14(11(2)18-16(19)24-10)25(21,22)17-8-12-5-4-6-13(7-12)23-3/h4-7,9,17H,8H2,1-3H3
InChIKeyCVCGBSMLTOYOIW-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.86
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 20901058) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID20901058
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1
InChIInChI=1S/C16H17N3O4S2/c1-10-9-19-15(20)14(11(2)18-16(19)24-10)25(21,22)17-8-12-5-4-6-13(7-12)23-3/h4-7,9,17H,8H2,1-3H3
InChIKeyCVCGBSMLTOYOIW-UHFFFAOYSA-N
XLogP1.86
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151749
N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138735
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945230
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 3237854
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 20901058) is N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is COc1cccc(CNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is CVCGBSMLTOYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-10-9-19-15(20)14(11(2)18-16(19)24-10)25(21,22)17-8-12-5-4-6-13(7-12)23-3/h4-7,9,17H,8H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 379.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 20901058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).