4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide

C16H11BrClN3O2S — CID 100750933

IUPAC4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H11BrClN3O2S/c1-23-13-7-6-11(8-12(13)18)19-16(22)15-14(20-21-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,19,22)
InChIKeyHLCCCIDSUKGAPA-UHFFFAOYSA-N
MW424.71 g/mol
LogP4.88
Rot. Bonds4

About 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100750933) has the molecular formula C16H11BrClN3O2S and a molecular weight of 424.71 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100750933
Molecular FormulaC16H11BrClN3O2S
Molecular Weight424.71 g/mol
Exact Mass422.94
IUPAC Name4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H11BrClN3O2S/c1-23-13-7-6-11(8-12(13)18)19-16(22)15-14(20-21-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,19,22)
InChIKeyHLCCCIDSUKGAPA-UHFFFAOYSA-N
XLogP4.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
N-[4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]-4-phenylthiadiazole-5-carboxamide
CID 141023427
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45492112
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152974

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide (CID 100750933) is 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is HLCCCIDSUKGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O2S/c1-23-13-7-6-11(8-12(13)18)19-16(22)15-14(20-21-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,19,22).
What are the key properties of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 424.71 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).