2-(ethylamino)-5-methylbenzenecarbothioamide

C10H14N2S — CID 107928326

IUPAC2-(ethylamino)-5-methylbenzenecarbothioamide
SMILESCCNc1ccc(C)cc1C(N)=S
InChIInChI=1S/C10H14N2S/c1-3-12-9-5-4-7(2)6-8(9)10(11)13/h4-6,12H,3H2,1-2H3,(H2,11,13)
InChIKeySRRRDLITAZGSTN-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.06
Rot. Bonds3

About 2-(ethylamino)-5-methylbenzenecarbothioamide

2-(ethylamino)-5-methylbenzenecarbothioamide (PubChem CID 107928326) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(ethylamino)-5-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-(ethylamino)-5-methylbenzenecarbothioamide
PubChem CID107928326
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(ethylamino)-5-methylbenzenecarbothioamide
SMILESCCNc1ccc(C)cc1C(N)=S
InChIInChI=1S/C10H14N2S/c1-3-12-9-5-4-7(2)6-8(9)10(11)13/h4-6,12H,3H2,1-2H3,(H2,11,13)
InChIKeySRRRDLITAZGSTN-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-5-methylbenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethylpropylamino)-5-methylbenzenecarbothioamide
CID 107928610
5-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenecarbothioamide
CID 107929285
2-(3-ethylsulfanylpropylamino)-5-methylbenzenecarbothioamide
CID 114248077
2-[(4-ethylcyclohexyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928838
5-methyl-2-[(1-methylcyclobutyl)methylamino]benzenecarbothioamide
CID 114108061
5-methyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]benzenecarbothioamide
CID 107929014
2-(2-methoxypropylamino)-5-methylbenzenecarbothioamide
CID 107929339
2-(3-cyclopropylpropylamino)-5-methylbenzenecarbothioamide
CID 107929313
2-[(2,4-difluorophenyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928886
5-methyl-2-[(6-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 107928888
2-(2,3-dimethoxypropylamino)-5-methylbenzenecarbothioamide
CID 114100257
2-(2-carbamothioyl-4-methylanilino)-N-ethylpropanamide
CID 107928693

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methylbenzenecarbothioamide?
The IUPAC name of 2-(ethylamino)-5-methylbenzenecarbothioamide (CID 107928326) is 2-(ethylamino)-5-methylbenzenecarbothioamide.
What is the SMILES notation for 2-(ethylamino)-5-methylbenzenecarbothioamide?
The canonical SMILES for 2-(ethylamino)-5-methylbenzenecarbothioamide is CCNc1ccc(C)cc1C(N)=S.
What is the InChIKey of 2-(ethylamino)-5-methylbenzenecarbothioamide?
The InChIKey is SRRRDLITAZGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-12-9-5-4-7(2)6-8(9)10(11)13/h4-6,12H,3H2,1-2H3,(H2,11,13).
What are the key properties of 2-(ethylamino)-5-methylbenzenecarbothioamide?
2-(ethylamino)-5-methylbenzenecarbothioamide has a molecular weight of 194.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methylbenzenecarbothioamide is sourced from PubChem (CID 107928326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).