2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide

C16H18N2OS — CID 62303779

IUPAC2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2OS/c1-11-2-7-14(16(17)20)15(10-11)18-9-8-12-3-5-13(19)6-4-12/h2-7,10,18-19H,8-9H2,1H3,(H2,17,20)
InChIKeyUQBQPYDVKNGVEM-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide

2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide (PubChem CID 62303779) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
PubChem CID62303779
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2OS/c1-11-2-7-14(16(17)20)15(10-11)18-9-8-12-3-5-13(19)6-4-12/h2-7,10,18-19H,8-9H2,1H3,(H2,17,20)
InChIKeyUQBQPYDVKNGVEM-UHFFFAOYSA-N
XLogP2.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314848
2-fluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 115367994
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]benzenecarbothioamide
CID 62301267
2-bromo-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 107277438
2-[2-(4-fluorophenyl)ethylamino]-4-methoxybenzenecarbothioamide
CID 81297627
2-(2-butoxyethylamino)-4-methylbenzenecarbothioamide
CID 62303633
4-methyl-2-(3-propoxypropylamino)benzenecarbothioamide
CID 82939999
4-methyl-2-(methylamino)benzenecarbothioamide
CID 62309052
2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
CID 55260122
ethyl 4-(2-carbamothioyl-5-methylanilino)butanoate
CID 64575433
4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515840
4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide (CID 62303779) is 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide is Cc1ccc(C(N)=S)c(NCCc2ccc(O)cc2)c1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide?
The InChIKey is UQBQPYDVKNGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-2-7-14(16(17)20)15(10-11)18-9-8-12-3-5-13(19)6-4-12/h2-7,10,18-19H,8-9H2,1H3,(H2,17,20).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide?
2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide has a molecular weight of 286.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide is sourced from PubChem (CID 62303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).