2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide

C15H18N2OS — CID 62302429

IUPAC2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
SMILESCCN(Cc1ccco1)c1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H18N2OS/c1-3-17(10-12-5-4-8-18-12)14-9-11(2)6-7-13(14)15(16)19/h4-9H,3,10H2,1-2H3,(H2,16,19)
InChIKeyHCDFQWPMHXRDIO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.25
Rot. Bonds5

About 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide

2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide (PubChem CID 62302429) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
PubChem CID62302429
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
SMILESCCN(Cc1ccco1)c1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H18N2OS/c1-3-17(10-12-5-4-8-18-12)14-9-11(2)6-7-13(14)15(16)19/h4-9H,3,10H2,1-2H3,(H2,16,19)
InChIKeyHCDFQWPMHXRDIO-UHFFFAOYSA-N
XLogP3.25
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 113269575
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide
CID 62302942
2-[benzyl(ethyl)amino]-5-methylbenzenecarbothioamide
CID 107928507
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
2-(N-ethyl-3-hydroxyanilino)-4-methylbenzenecarbothioamide
CID 107735498
2-(N-ethyl-4-fluoroanilino)-4-methylbenzenecarbothioamide
CID 62303295
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
5-fluoro-2-[furan-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 63673360
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
CID 62302115
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide?
The IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide (CID 62302429) is 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide?
The canonical SMILES for 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide is CCN(Cc1ccco1)c1cc(C)ccc1C(N)=S.
What is the InChIKey of 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide?
The InChIKey is HCDFQWPMHXRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-17(10-12-5-4-8-18-12)14-9-11(2)6-7-13(14)15(16)19/h4-9H,3,10H2,1-2H3,(H2,16,19).
What are the key properties of 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide?
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide has a molecular weight of 274.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide is sourced from PubChem (CID 62302429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).