3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C19H23N5O5S3 — CID 15990078

IUPAC3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H23N5O5S3/c1-13-12-30-19-20-14(2)17(18(25)24(13)19)32(28,29)21-15-4-6-16(7-5-15)22-8-10-23(11-9-22)31(3,26)27/h4-7,12,21H,8-11H2,1-3H3
InChIKeyPIZYKAHKGPBDEX-UHFFFAOYSA-N
MW497.62 g/mol
LogP1.26
Rot. Bonds5

About 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15990078) has the molecular formula C19H23N5O5S3 and a molecular weight of 497.62 g/mol. Its IUPAC name is 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15990078
Molecular FormulaC19H23N5O5S3
Molecular Weight497.62 g/mol
Exact Mass497.09
IUPAC Name3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H23N5O5S3/c1-13-12-30-19-20-14(2)17(18(25)24(13)19)32(28,29)21-15-4-6-16(7-5-15)22-8-10-23(11-9-22)31(3,26)27/h4-7,12,21H,8-11H2,1-3H3
InChIKeyPIZYKAHKGPBDEX-UHFFFAOYSA-N
XLogP1.26
TPSA121.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide 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

2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2462014
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798
7-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8083550
6-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8099700
N-[4-(4-isobutyrylpiperazino)phenyl]-5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990058
5-keto-3,7-dimethyl-N-(4-morpholinophenyl)thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990080
7-Methyl-N-{4-[4-(2-methylpropanoyl)piperazin-1-YL]phenyl}-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 15990180
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
3,7-Dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-thiazolo[3,2-a]pyrimidin-5-one
CID 15990291
6-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004541
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 71600974

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15990078) is 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is PIZYKAHKGPBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S3/c1-13-12-30-19-20-14(2)17(18(25)24(13)19)32(28,29)21-15-4-6-16(7-5-15)22-8-10-23(11-9-22)31(3,26)27/h4-7,12,21H,8-11H2,1-3H3.
What are the key properties of 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 497.62 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15990078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).