N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide

C15H16IN3OS — CID 1035124

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1I
InChIInChI=1S/C15H16IN3OS/c16-12-9-5-4-8-11(12)13(20)17-15-19-18-14(21-15)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,19,20)
InChIKeyLOLKFLJKXJMZLD-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.44
Rot. Bonds3

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide (PubChem CID 1035124) has the molecular formula C15H16IN3OS and a molecular weight of 413.28 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
PubChem CID1035124
Molecular FormulaC15H16IN3OS
Molecular Weight413.28 g/mol
Exact Mass413.01
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1I
InChIInChI=1S/C15H16IN3OS/c16-12-9-5-4-8-11(12)13(20)17-15-19-18-14(21-15)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,19,20)
InChIKeyLOLKFLJKXJMZLD-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.44
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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide (CID 1035124) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide is O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1I.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The InChIKey is LOLKFLJKXJMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3OS/c16-12-9-5-4-8-11(12)13(20)17-15-19-18-14(21-15)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,19,20).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide has a molecular weight of 413.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 1035124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).