(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone

C9H4Cl2N2OS — CID 105094942

IUPAC(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl2N2OS/c10-6-3-1-2-5(8(6)11)9(14)7-4-12-15-13-7/h1-4H
InChIKeyUDWPVADQRAPGSV-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.08
Rot. Bonds2

About (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone

(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105094942) has the molecular formula C9H4Cl2N2OS and a molecular weight of 259.12 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105094942
Molecular FormulaC9H4Cl2N2OS
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl2N2OS/c10-6-3-1-2-5(8(6)11)9(14)7-4-12-15-13-7/h1-4H
InChIKeyUDWPVADQRAPGSV-UHFFFAOYSA-N
XLogP3.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105081414
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 107502317
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
2,3-dichlorobenzamide;hydron
CID 69226563
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726
2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 68607874
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
2,3-dichloro-N-(6-chloropyrazin-2-yl)benzamide
CID 113229005
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone (CID 105094942) is (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is UDWPVADQRAPGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2OS/c10-6-3-1-2-5(8(6)11)9(14)7-4-12-15-13-7/h1-4H.
What are the key properties of (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 259.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105094942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).