6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

C13H11ClN2O2S — CID 13131700

IUPAC6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2SCCN2C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,9H,5-7H2
InChIKeyZMZHOVPNAGLSII-UHFFFAOYSA-N
MW294.76 g/mol
LogP1.97
Rot. Bonds2

About 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 13131700) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID13131700
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2SCCN2C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,9H,5-7H2
InChIKeyZMZHOVPNAGLSII-UHFFFAOYSA-N
XLogP1.97
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione
CID 101455921
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
5-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 67491988
6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 141443708
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
2-[3-[(2-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458252
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 110713072
6-[(2-chlorophenyl)methyl]-1,2,3,4,5,5a,6,7,8,9-decahydropyrido[1,2-b]diazepine
CID 150017588
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 13131700) is 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is O=C1N=C2SCCN2C(=O)C1Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is ZMZHOVPNAGLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,9H,5-7H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 294.76 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 13131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).