5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C10H7ClIN3OS — CID 80625362

IUPAC5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H7ClIN3OS/c1-5-4-6(12)2-3-7(5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16)
InChIKeyAWFCYTNYSAONTG-UHFFFAOYSA-N
MW379.61 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625362) has the molecular formula C10H7ClIN3OS and a molecular weight of 379.61 g/mol. Its IUPAC name is 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625362
Molecular FormulaC10H7ClIN3OS
Molecular Weight379.61 g/mol
Exact Mass378.90
IUPAC Name5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H7ClIN3OS/c1-5-4-6(12)2-3-7(5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16)
InChIKeyAWFCYTNYSAONTG-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625362) is 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1cc(I)ccc1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AWFCYTNYSAONTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3OS/c1-5-4-6(12)2-3-7(5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16).
What are the key properties of 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 379.61 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).