(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate

C11H8Cl2N2O2S — CID 7576962

IUPAC(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-6-10(18-15-14-6)11(16)17-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3
InChIKeyYIYWWQLTPFMWFY-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.51
Rot. Bonds3

About (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate

(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate (PubChem CID 7576962) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
PubChem CID7576962
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-6-10(18-15-14-6)11(16)17-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3
InChIKeyYIYWWQLTPFMWFY-UHFFFAOYSA-N
XLogP3.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576923
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
4-methylthiadiazole-5-carbonyl chloride;4-(4-methylthiadiazole-5-carbonyl)oxybut-2-ynyl 4-methylthiadiazole-5-carboxylate
CID 157407185
benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 21008271
(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 7997154
(3,4-dichlorophenyl)methyl 2-iodobenzoate
CID 9291865
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
(3,4-dichlorophenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092678

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate (CID 7576962) is (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate is Cc1nnsc1C(=O)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate?
The InChIKey is YIYWWQLTPFMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-6-10(18-15-14-6)11(16)17-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3.
What are the key properties of (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate?
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate has a molecular weight of 303.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 7576962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).