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

C12H12IN3OS — CID 32623816

IUPAC4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyOHGXDGOSHRCPSW-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.52
Rot. Bonds3

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

4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 32623816) has the molecular formula C12H12IN3OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID32623816
Molecular FormulaC12H12IN3OS
Molecular Weight373.22 g/mol
Exact Mass372.97
IUPAC Name4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyOHGXDGOSHRCPSW-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

4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
4-(cyanomethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179647
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 24506412
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 78820801
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35849591
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833
methyl 2-[[5-[(4-iodobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100733928

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 32623816) is 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(I)cc2)s1.
What is the InChIKey of 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OHGXDGOSHRCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3OS/c1-7(2)11-15-16-12(18-11)14-10(17)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-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 4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 32623816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).