5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C18H20N4O2S — CID 8894889

IUPAC5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCC1
InChIInChI=1S/C18H20N4O2S/c1-2-9-20-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16(23)14(10-12)17(19)24/h2,7-8,10-11,23H,1,3-6,9H2,(H2,19,24)/b20-18-
InChIKeyPGRWIZHSASVZAI-ZZEZOPTASA-N
MW356.45 g/mol
LogP2.89
Rot. Bonds5

About 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 8894889) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID8894889
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCC1
InChIInChI=1S/C18H20N4O2S/c1-2-9-20-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16(23)14(10-12)17(19)24/h2,7-8,10-11,23H,1,3-6,9H2,(H2,19,24)/b20-18-
InChIKeyPGRWIZHSASVZAI-ZZEZOPTASA-N
XLogP2.89
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 8894889) is 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is C=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCC1.
What is the InChIKey of 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is PGRWIZHSASVZAI-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-9-20-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16(23)14(10-12)17(19)24/h2,7-8,10-11,23H,1,3-6,9H2,(H2,19,24)/b20-18-.
What are the key properties of 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 356.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 8894889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).