4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide

C10H6F3N3S2 — CID 135153554

IUPAC4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide
SMILESFc1ccc(NC(=S)c2snnc2C(F)F)cc1
InChIInChI=1S/C10H6F3N3S2/c11-5-1-3-6(4-2-5)14-10(17)8-7(9(12)13)15-16-18-8/h1-4,9H,(H,14,17)
InChIKeyBIVWYEAEXVZRCO-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.40
Rot. Bonds3

About 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide

4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide (PubChem CID 135153554) has the molecular formula C10H6F3N3S2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide
PubChem CID135153554
Molecular FormulaC10H6F3N3S2
Molecular Weight289.31 g/mol
Exact Mass289.00
IUPAC Name4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide
SMILESFc1ccc(NC(=S)c2snnc2C(F)F)cc1
InChIInChI=1S/C10H6F3N3S2/c11-5-1-3-6(4-2-5)14-10(17)8-7(9(12)13)15-16-18-8/h1-4,9H,(H,14,17)
InChIKeyBIVWYEAEXVZRCO-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-N-[4-(difluoromethylsulfonyl)phenyl]thiadiazole-5-carbothioamide
CID 135153577
4-(difluoromethyl)-N-[4-(trifluoromethylsulfonyl)phenyl]thiadiazole-5-carbothioamide
CID 135153706
N-[2-bromo-5-(trifluoromethoxy)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135153673
N-[2-chloro-4-(difluoromethylsulfonyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135153340
N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 135153544
4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153632
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-(4-fluorophenyl)pyridine-2-carbothioamide
CID 14510216
N-(4-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399620
4-chloro-N-(4-fluorophenyl)benzenecarbothioamide
CID 86183001
1-(carbamothioylamino)-3-(4-fluorophenyl)thiourea
CID 681193
1-(4-fluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]thiourea
CID 132524450

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide?
The IUPAC name of 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide (CID 135153554) is 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide?
The canonical SMILES for 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide is Fc1ccc(NC(=S)c2snnc2C(F)F)cc1.
What is the InChIKey of 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide?
The InChIKey is BIVWYEAEXVZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S2/c11-5-1-3-6(4-2-5)14-10(17)8-7(9(12)13)15-16-18-8/h1-4,9H,(H,14,17).
What are the key properties of 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide?
4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide has a molecular weight of 289.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(4-fluorophenyl)thiadiazole-5-carbothioamide is sourced from PubChem (CID 135153554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).