4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C19H19N3O2S2 — CID 3567294

IUPAC4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S
InChIInChI=1S/C19H19N3O2S2/c1-3-24-15-7-5-4-6-14(15)22-17(20)16(26-19(22)25)18(23)21-13-10-8-12(2)9-11-13/h4-11H,3,20H2,1-2H3,(H,21,23)
InChIKeyCJHYBGMGQUEQJB-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.81
Rot. Bonds5

About 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3567294) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3567294
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S
InChIInChI=1S/C19H19N3O2S2/c1-3-24-15-7-5-4-6-14(15)22-17(20)16(26-19(22)25)18(23)21-13-10-8-12(2)9-11-13/h4-11H,3,20H2,1-2H3,(H,21,23)
InChIKeyCJHYBGMGQUEQJB-UHFFFAOYSA-N
XLogP4.81
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Benzyloxy)phenyl]acetamide
CID 4683060
N1-(4-Dodecylphenyl)-N2-(2-ethoxyphenyl)ethanediamide
CID 20647578
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
3-allyl-4-amino-N-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3240288
4-Amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 4082361
4-Amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 4278231
5-{4-[(4-Ethoxy-phenyl)-methyl-amino]-benzylidene}-2-thioxo-thiazolidin-4-one
CID 5767616
3-(2-ethoxyphenyl)-6-phenyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 16193567
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 16193568
3-(2-ethoxyphenyl)-6-(4-methylphenyl)-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 16193570
2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135419164
N-[(2-ethoxyphenyl)carbamothioyl]-3-phenylpropanamide
CID 1226906

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3567294) is 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S.
What is the InChIKey of 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is CJHYBGMGQUEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-3-24-15-7-5-4-6-14(15)22-17(20)16(26-19(22)25)18(23)21-13-10-8-12(2)9-11-13/h4-11H,3,20H2,1-2H3,(H,21,23).
What are the key properties of 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethoxyphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3567294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).