7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H12ClN3O3S2 — CID 25250403

IUPAC7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S2/c14-8-1-3-10(4-2-8)22(19,20)7-9-6-21-13-16-11(15)5-12(18)17(9)13/h1-5,9H,6-7,15H2
InChIKeyREMNMYUUGXTFNZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP1.60
Rot. Bonds3

About 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 25250403) has the molecular formula C13H12ClN3O3S2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID25250403
Molecular FormulaC13H12ClN3O3S2
Molecular Weight357.84 g/mol
Exact Mass357.00
IUPAC Name7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S2/c14-8-1-3-10(4-2-8)22(19,20)7-9-6-21-13-16-11(15)5-12(18)17(9)13/h1-5,9H,6-7,15H2
InChIKeyREMNMYUUGXTFNZ-UHFFFAOYSA-N
XLogP1.60
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[(2Z)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6505534
S-(4-chlorophenyl) 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbothioate
CID 2739490
7-amino-3-[(phenylsulfonyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5196327
4-chloro-N-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 8934441
4-chloro-N-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 1388262
7-Amino-3-phenylsulfonyl-methyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 129739679
7-{[(4-chlorophenyl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3888445
(E)-N-(3-allyl-4-oxothiazolidin-2-ylidene)-4-chlorobenzenesulfonamide
CID 5514969
7-[(4-Chlorophenyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7892372
7-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 20873936
(3R)-7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 1974558
(3S)-7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 1974559

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 25250403) is 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Nc1cc(=O)n2c(n1)SCC2CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is REMNMYUUGXTFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S2/c14-8-1-3-10(4-2-8)22(19,20)7-9-6-21-13-16-11(15)5-12(18)17(9)13/h1-5,9H,6-7,15H2.
What are the key properties of 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 357.84 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(4-chlorophenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 25250403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).