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

C15H14ClN3O3S2 — CID 15989998

IUPACN-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O3S2/c1-9-8-23-15-18-10(2)13(14(20)19(9)15)24(21,22)17-7-11-5-3-4-6-12(11)16/h3-6,8,17H,7H2,1-2H3
InChIKeyVSPNBUXZOABUHJ-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.50
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15989998) has the molecular formula C15H14ClN3O3S2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15989998
Molecular FormulaC15H14ClN3O3S2
Molecular Weight383.88 g/mol
Exact Mass383.02
IUPAC NameN-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O3S2/c1-9-8-23-15-18-10(2)13(14(20)19(9)15)24(21,22)17-7-11-5-3-4-6-12(11)16/h3-6,8,17H,7H2,1-2H3
InChIKeyVSPNBUXZOABUHJ-UHFFFAOYSA-N
XLogP2.50
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15989998) is N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is VSPNBUXZOABUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S2/c1-9-8-23-15-18-10(2)13(14(20)19(9)15)24(21,22)17-7-11-5-3-4-6-12(11)16/h3-6,8,17H,7H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 383.88 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15989998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).