2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide

C14H22N2OS — CID 62302115

IUPAC2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
SMILESCCN(c1cc(C)ccc1C(N)=S)C(C)COC
InChIInChI=1S/C14H22N2OS/c1-5-16(11(3)9-17-4)13-8-10(2)6-7-12(13)14(15)18/h6-8,11H,5,9H2,1-4H3,(H2,15,18)
InChIKeyWPNBHUHYKVKVKO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.49
Rot. Bonds6

About 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide

2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide (PubChem CID 62302115) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
PubChem CID62302115
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
SMILESCCN(c1cc(C)ccc1C(N)=S)C(C)COC
InChIInChI=1S/C14H22N2OS/c1-5-16(11(3)9-17-4)13-8-10(2)6-7-12(13)14(15)18/h6-8,11H,5,9H2,1-4H3,(H2,15,18)
InChIKeyWPNBHUHYKVKVKO-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.49
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

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302918
4-[ethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55008853
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
4-bromo-2-[ethyl(propan-2-yl)amino]benzenecarbothioamide
CID 114902763
2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide
CID 62302942
5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
2-(N-ethyl-4-fluoroanilino)-4-methylbenzenecarbothioamide
CID 62303295
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
4-methyl-2-(3-methylpentan-2-ylamino)benzenecarbothioamide
CID 62302433
4-methyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]benzenecarbothioamide
CID 112659741
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide (CID 62302115) is 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide is CCN(c1cc(C)ccc1C(N)=S)C(C)COC.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide?
The InChIKey is WPNBHUHYKVKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-16(11(3)9-17-4)13-8-10(2)6-7-12(13)14(15)18/h6-8,11H,5,9H2,1-4H3,(H2,15,18).
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide?
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide has a molecular weight of 266.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide is sourced from PubChem (CID 62302115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).