2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide

C11H16N2O2S — CID 81306245

IUPAC2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(N(C)CCO)c1
InChIInChI=1S/C11H16N2O2S/c1-13(5-6-14)10-7-8(15-2)3-4-9(10)11(12)16/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16)
InChIKeyQAVUDYVTJJHLJG-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.76
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide

2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide (PubChem CID 81306245) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
PubChem CID81306245
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(N(C)CCO)c1
InChIInChI=1S/C11H16N2O2S/c1-13(5-6-14)10-7-8(15-2)3-4-9(10)11(12)16/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16)
InChIKeyQAVUDYVTJJHLJG-UHFFFAOYSA-N
XLogP0.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306308
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 105418138
2-(2-carbamothioyl-5-methoxy-N-methylanilino)-N-propan-2-ylacetamide
CID 81305666
2-[(3-chlorophenyl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 81297786
2-[(5-bromothiophen-3-yl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 81306253
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 114949468
4-methoxy-2-(2-methoxy-N-methylanilino)benzenecarbothioamide
CID 81298185
2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
CID 81298153
4-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 63092139
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide (CID 81306245) is 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide is COc1ccc(C(N)=S)c(N(C)CCO)c1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide?
The InChIKey is QAVUDYVTJJHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13(5-6-14)10-7-8(15-2)3-4-9(10)11(12)16/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide?
2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide has a molecular weight of 240.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81306245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).