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

C12H13N3O2S2 — CID 3571647

IUPAC4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C12H13N3O2S2/c1-2-17-8-6-4-3-5-7(8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16)
InChIKeyUTLQFMWQORADMF-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.35
Rot. Bonds4

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

4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3571647) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3571647
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C12H13N3O2S2/c1-2-17-8-6-4-3-5-7(8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16)
InChIKeyUTLQFMWQORADMF-UHFFFAOYSA-N
XLogP2.35
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.35
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-Ethoxyphenyl)thiourea
CID 2758773
N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 1226912
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
4-Thiazolidinone, 5-(ethoxymethylene)-3-(2-methoxyphenyl)-2-thioxo-
CID 292898
Ethyl 4-amino-3-(2,5-dimethoxyphenyl)-2,3-dihydro-2-thioxo-5-thiazolecarboxylate
CID 630991
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-(2-Methoxy-phenyl)-2-thioxo-thiazolidin-4-one
CID 292895
3-(o-Ethoxyphenyl)-rhodanine
CID 98906
4-amino-3-(4-ethoxyphenyl)-N-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolecarboxamide
CID 2938449
4-amino-N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
CID 679173
N-butyryl-N'-(2-methoxyphenyl)thiourea
CID 823745
N-acetyl-N'-(2-methoxyphenyl)thiourea
CID 2142927

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3571647) is 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCOc1ccccc1-n1c(N)c(C(N)=O)sc1=S.
What is the InChIKey of 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is UTLQFMWQORADMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-2-17-8-6-4-3-5-7(8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16).
What are the key properties of 4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.35, 4 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)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3571647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).