N-(5-iodopentyl)thiadiazole-4-carboxamide

C8H12IN3OS — CID 107322221

IUPACN-(5-iodopentyl)thiadiazole-4-carboxamide
SMILESO=C(NCCCCCI)c1csnn1
InChIInChI=1S/C8H12IN3OS/c9-4-2-1-3-5-10-8(13)7-6-14-12-11-7/h6H,1-5H2,(H,10,13)
InChIKeyGEYCKNJAHFQJIT-UHFFFAOYSA-N
MW325.18 g/mol
LogP1.87
Rot. Bonds6

About N-(5-iodopentyl)thiadiazole-4-carboxamide

N-(5-iodopentyl)thiadiazole-4-carboxamide (PubChem CID 107322221) has the molecular formula C8H12IN3OS and a molecular weight of 325.18 g/mol. Its IUPAC name is N-(5-iodopentyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)thiadiazole-4-carboxamide
PubChem CID107322221
Molecular FormulaC8H12IN3OS
Molecular Weight325.18 g/mol
Exact Mass324.97
IUPAC NameN-(5-iodopentyl)thiadiazole-4-carboxamide
SMILESO=C(NCCCCCI)c1csnn1
InChIInChI=1S/C8H12IN3OS/c9-4-2-1-3-5-10-8(13)7-6-14-12-11-7/h6H,1-5H2,(H,10,13)
InChIKeyGEYCKNJAHFQJIT-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-ethylthiadiazole-4-carboxamide
CID 274291
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide
CID 114383632
N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
CID 126792225
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
CID 126793972
N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 126996511
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
CID 136531036
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclopentylamino)-2-oxoethyl]-n-(3-methylbutyl)-
CID 3219343
n-Methyl-1,2,3-thiadiazole-4-carboxamide
CID 274292
Piperazin-1-yl(thiadiazol-4-yl)methanone
CID 20389828
N-(4-methylcyclohexyl)thiadiazole-4-carboxamide
CID 47180328

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(5-iodopentyl)thiadiazole-4-carboxamide (CID 107322221) is N-(5-iodopentyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(5-iodopentyl)thiadiazole-4-carboxamide is O=C(NCCCCCI)c1csnn1.
What is the InChIKey of N-(5-iodopentyl)thiadiazole-4-carboxamide?
The InChIKey is GEYCKNJAHFQJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3OS/c9-4-2-1-3-5-10-8(13)7-6-14-12-11-7/h6H,1-5H2,(H,10,13).
What are the key properties of N-(5-iodopentyl)thiadiazole-4-carboxamide?
N-(5-iodopentyl)thiadiazole-4-carboxamide has a molecular weight of 325.18 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 107322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).