6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C12H11ClN2O2S — CID 110189766

IUPAC6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCc1c(Cl)cccc1N1C(=O)C2CSCN2C1=O
InChIInChI=1S/C12H11ClN2O2S/c1-7-8(13)3-2-4-9(7)15-11(16)10-5-18-6-14(10)12(15)17/h2-4,10H,5-6H2,1H3
InChIKeyPYIGOGDODXXIGB-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.49
Rot. Bonds1

About 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 110189766) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID110189766
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCc1c(Cl)cccc1N1C(=O)C2CSCN2C1=O
InChIInChI=1S/C12H11ClN2O2S/c1-7-8(13)3-2-4-9(7)15-11(16)10-5-18-6-14(10)12(15)17/h2-4,10H,5-6H2,1H3
InChIKeyPYIGOGDODXXIGB-UHFFFAOYSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 43402856
(7aR)-6-benzyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 10060569
1-(3-chloro-2-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2868062
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 79965715
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17324587
1-(3-chloro-2-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946218
1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582015
6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 19615283
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61141539
1-(3-chloro-2-methylphenyl)azetidin-3-amine
CID 117002816
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
5-amino-1-(3-chloro-2-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylic acid
CID 82133911

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 110189766) is 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is Cc1c(Cl)cccc1N1C(=O)C2CSCN2C1=O.
What is the InChIKey of 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is PYIGOGDODXXIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-8(13)3-2-4-9(7)15-11(16)10-5-18-6-14(10)12(15)17/h2-4,10H,5-6H2,1H3.
What are the key properties of 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 282.75 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 110189766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).