2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C12H12IN3OS — CID 1087655

IUPAC2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccccc2I)s1
InChIInChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,16,17)
InChIKeyRKLWYSIKXIKNPV-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.52
Rot. Bonds3

About 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1087655) has the molecular formula C12H12IN3OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1087655
Molecular FormulaC12H12IN3OS
Molecular Weight373.22 g/mol
Exact Mass372.97
IUPAC Name2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccccc2I)s1
InChIInChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,16,17)
InChIKeyRKLWYSIKXIKNPV-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.52
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

2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
CID 45494179
3,5-dichloro-2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506394
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1087655) is 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2ccccc2I)s1.
What is the InChIKey of 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RKLWYSIKXIKNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 373.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1087655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).