2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide

C19H17N5O2S — CID 8716107

IUPAC2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
SMILESC=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccccn1
InChIInChI=1S/C19H17N5O2S/c1-2-8-22-19-24(23-11-14-5-3-4-9-21-14)16(12-27-19)13-6-7-17(25)15(10-13)18(20)26/h2-7,9-12,25H,1,8H2,(H2,20,26)/b22-19-,23-11-
InChIKeyQSHWQLVKANIQFU-CJIXGZIISA-N
MW379.45 g/mol
LogP2.38
Rot. Bonds6

About 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide

2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide (PubChem CID 8716107) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
PubChem CID8716107
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
SMILESC=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccccn1
InChIInChI=1S/C19H17N5O2S/c1-2-8-22-19-24(23-11-14-5-3-4-9-21-14)16(12-27-19)13-6-7-17(25)15(10-13)18(20)26/h2-7,9-12,25H,1,8H2,(H2,20,26)/b22-19-,23-11-
InChIKeyQSHWQLVKANIQFU-CJIXGZIISA-N
XLogP2.38
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[3-[(Z)-(4-methoxyphenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]benzamide
CID 6218804
2-hydroxy-5-[3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]benzamide
CID 6218688
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
5-[2-ethylimino-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 135775954
5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 6219421
3-[[4-(4-methylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135839067
4-(3,4-dichlorophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23882854
5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 9103840
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
4-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135548999

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide (CID 8716107) is 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide is C=CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccccn1.
What is the InChIKey of 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is QSHWQLVKANIQFU-CJIXGZIISA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-2-8-22-19-24(23-11-14-5-3-4-9-21-14)16(12-27-19)13-6-7-17(25)15(10-13)18(20)26/h2-7,9-12,25H,1,8H2,(H2,20,26)/b22-19-,23-11-.
What are the key properties of 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 379.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 8716107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).