4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide

C10H5F4N3S2 — CID 135153498

IUPAC4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide
SMILESFc1cccc(F)c1NC(=S)c1snnc1C(F)F
InChIInChI=1S/C10H5F4N3S2/c11-4-2-1-3-5(12)6(4)15-10(18)8-7(9(13)14)16-17-19-8/h1-3,9H,(H,15,18)
InChIKeyYKSLZBFLCCYIAP-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.54
Rot. Bonds3

About 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide

4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide (PubChem CID 135153498) has the molecular formula C10H5F4N3S2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide
PubChem CID135153498
Molecular FormulaC10H5F4N3S2
Molecular Weight307.30 g/mol
Exact Mass306.99
IUPAC Name4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide
SMILESFc1cccc(F)c1NC(=S)c1snnc1C(F)F
InChIInChI=1S/C10H5F4N3S2/c11-4-2-1-3-5(12)6(4)15-10(18)8-7(9(13)14)16-17-19-8/h1-3,9H,(H,15,18)
InChIKeyYKSLZBFLCCYIAP-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide?
The IUPAC name of 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide (CID 135153498) is 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide?
The canonical SMILES for 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide is Fc1cccc(F)c1NC(=S)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide?
The InChIKey is YKSLZBFLCCYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3S2/c11-4-2-1-3-5(12)6(4)15-10(18)8-7(9(13)14)16-17-19-8/h1-3,9H,(H,15,18).
What are the key properties of 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide?
4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide has a molecular weight of 307.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide is sourced from PubChem (CID 135153498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).