N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide

C10H7ClIN3OS — CID 103579448

IUPACN-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H7ClIN3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyFRTDAQVPSCFCPR-UHFFFAOYSA-N
MW379.61 g/mol
LogP3.36
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide

N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 103579448) has the molecular formula C10H7ClIN3OS and a molecular weight of 379.61 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID103579448
Molecular FormulaC10H7ClIN3OS
Molecular Weight379.61 g/mol
Exact Mass378.90
IUPAC NameN-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H7ClIN3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyFRTDAQVPSCFCPR-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-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide (CID 103579448) is N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FRTDAQVPSCFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3OS/c1-5-9(17-15-14-5)10(16)13-8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,13,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide?
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-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 N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103579448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).