4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide

C10H12F2N2S — CID 81286537

IUPAC4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
SMILESCCN(C)c1c(F)cc(C(N)=S)cc1F
InChIInChI=1S/C10H12F2N2S/c1-3-14(2)9-7(11)4-6(10(13)15)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,15)
InChIKeyHNACRJQBVRUXMG-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.06
Rot. Bonds3

About 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide

4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide (PubChem CID 81286537) has the molecular formula C10H12F2N2S and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
PubChem CID81286537
Molecular FormulaC10H12F2N2S
Molecular Weight230.28 g/mol
Exact Mass230.07
IUPAC Name4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
SMILESCCN(C)c1c(F)cc(C(N)=S)cc1F
InChIInChI=1S/C10H12F2N2S/c1-3-14(2)9-7(11)4-6(10(13)15)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,15)
InChIKeyHNACRJQBVRUXMG-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-ethoxyethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286576
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
3,5-difluoro-4-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarbothioamide
CID 81285183
4-[cyclohexylmethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286824
3,5-difluoro-4-[furan-3-ylmethyl(methyl)amino]benzenecarbothioamide
CID 81286641
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 107398799
4-(N,4-dimethylanilino)-3,5-difluorobenzenecarbothioamide
CID 81285451
4-[bis(2-methoxyethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286261
4-[cycloheptyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286544
4-[1-cyclopropylethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286737
4-[ethyl(oxolan-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286006
3,5-difluoro-4-(pentan-3-ylamino)benzenecarbothioamide
CID 81285853

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide?
The IUPAC name of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide (CID 81286537) is 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide is CCN(C)c1c(F)cc(C(N)=S)cc1F.
What is the InChIKey of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide?
The InChIKey is HNACRJQBVRUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2S/c1-3-14(2)9-7(11)4-6(10(13)15)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,15).
What are the key properties of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide?
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide has a molecular weight of 230.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide is sourced from PubChem (CID 81286537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).