3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol

C18H19ClN2O2S2 — CID 3512885

IUPAC3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2CCCO)cc1
InChIInChI=1S/C18H19ClN2O2S2/c1-2-23-14-6-4-13(5-7-14)20-18-21(10-3-11-22)15(12-24-18)16-8-9-17(19)25-16/h4-9,12,22H,2-3,10-11H2,1H3/b20-18-
InChIKeyNIVVNXRMEBHKHW-ZZEZOPTASA-N
MW394.95 g/mol
LogP4.95
Rot. Bonds7

About 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol

3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 3512885) has the molecular formula C18H19ClN2O2S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol
PubChem CID3512885
Molecular FormulaC18H19ClN2O2S2
Molecular Weight394.95 g/mol
Exact Mass394.06
IUPAC Name3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2CCCO)cc1
InChIInChI=1S/C18H19ClN2O2S2/c1-2-23-14-6-4-13(5-7-14)20-18-21(10-3-11-22)15(12-24-18)16-8-9-17(19)25-16/h4-9,12,22H,2-3,10-11H2,1H3/b20-18-
InChIKeyNIVVNXRMEBHKHW-ZZEZOPTASA-N
XLogP4.95
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol (CID 3512885) is 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol is CCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2CCCO)cc1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is NIVVNXRMEBHKHW-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19ClN2O2S2/c1-2-23-14-6-4-13(5-7-14)20-18-21(10-3-11-22)15(12-24-18)16-8-9-17(19)25-16/h4-9,12,22H,2-3,10-11H2,1H3/b20-18-.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 394.95 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 3512885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).