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

C18H16FN3O2S2 — CID 4082361

IUPAC4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S
InChIInChI=1S/C18H16FN3O2S2/c1-2-24-14-6-4-3-5-13(14)22-16(20)15(26-18(22)25)17(23)21-12-9-7-11(19)8-10-12/h3-10H,2,20H2,1H3,(H,21,23)
InChIKeyLLJXOSLJPASZKO-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.64
Rot. Bonds5

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

4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 4082361) has the molecular formula C18H16FN3O2S2 and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID4082361
Molecular FormulaC18H16FN3O2S2
Molecular Weight389.48 g/mol
Exact Mass389.07
IUPAC Name4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S
InChIInChI=1S/C18H16FN3O2S2/c1-2-24-14-6-4-3-5-13(14)22-16(20)15(26-18(22)25)17(23)21-12-9-7-11(19)8-10-12/h3-10H,2,20H2,1H3,(H,21,23)
InChIKeyLLJXOSLJPASZKO-UHFFFAOYSA-N
XLogP4.64
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

N-[3-[(2-ethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6469092
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
Carbanilide, 2,2'-diethoxythio-
CID 3035276
4-amino-3-(4-ethoxyphenyl)-N-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolecarboxamide
CID 2938449
2-[(2-anilino-2-oxoethyl)thio]-N-(2-ethoxyphenyl)acetamide
CID 734344
1-(2-Ethoxyphenyl)-3-(2-fluorophenyl)thiourea
CID 976459
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253
4-amino-3-(4-methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 2940044
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-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3567294
Ethyl {[3,6-bis(2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetate
CID 3642700
4-Amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 4278231

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 4082361) is 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S.
What is the InChIKey of 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is LLJXOSLJPASZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S2/c1-2-24-14-6-4-3-5-13(14)22-16(20)15(26-18(22)25)17(23)21-12-9-7-11(19)8-10-12/h3-10H,2,20H2,1H3,(H,21,23).
What are the key properties of 4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(2-ethoxyphenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.64, 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-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4082361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).