(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide

C18H14N4O2S — CID 71625441

IUPAC(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)Cc1sc(Nc3cccnc3)nc1-2)NO
InChIInChI=1S/C18H14N4O2S/c23-16(22-24)6-4-11-3-5-14-12(8-11)9-15-17(14)21-18(25-15)20-13-2-1-7-19-10-13/h1-8,10,24H,9H2,(H,20,21)(H,22,23)/b6-4+
InChIKeyKJRFBPIEQZTTCN-GQCTYLIASA-N
MW350.40 g/mol
LogP3.37
Rot. Bonds4

About (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide (PubChem CID 71625441) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide
PubChem CID71625441
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)Cc1sc(Nc3cccnc3)nc1-2)NO
InChIInChI=1S/C18H14N4O2S/c23-16(22-24)6-4-11-3-5-14-12(8-11)9-15-17(14)21-18(25-15)20-13-2-1-7-19-10-13/h1-8,10,24H,9H2,(H,20,21)(H,22,23)/b6-4+
InChIKeyKJRFBPIEQZTTCN-GQCTYLIASA-N
XLogP3.37
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide (CID 71625441) is (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)Cc1sc(Nc3cccnc3)nc1-2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide?
The InChIKey is KJRFBPIEQZTTCN-GQCTYLIASA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-16(22-24)6-4-11-3-5-14-12(8-11)9-15-17(14)21-18(25-15)20-13-2-1-7-19-10-13/h1-8,10,24H,9H2,(H,20,21)(H,22,23)/b6-4+.
What are the key properties of (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide has a molecular weight of 350.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(pyridin-3-ylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enamide is sourced from PubChem (CID 71625441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).