N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C19H14N4O2S — CID 152781797

IUPACN-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4nccs4)oc4cnccc34)ccc21
InChIInChI=1S/C19H14N4O2S/c24-23-15-4-1-11-9-12(2-3-13(11)15)22-17-14-5-6-20-10-16(14)25-18(17)19-21-7-8-26-19/h2-3,5-10,22,24H,1,4H2
InChIKeyBWDSYYPJZWILJH-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.82
Rot. Bonds3

About N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 152781797) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID152781797
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4nccs4)oc4cnccc34)ccc21
InChIInChI=1S/C19H14N4O2S/c24-23-15-4-1-11-9-12(2-3-13(11)15)22-17-14-5-6-20-10-16(14)25-18(17)19-21-7-8-26-19/h2-3,5-10,22,24H,1,4H2
InChIKeyBWDSYYPJZWILJH-UHFFFAOYSA-N
XLogP4.82
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226067
[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
CID 58826897
3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 73225914
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 141171263
N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
CID 73226069
N-[5-[(2-ethylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 141171254
N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226000
4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile
CID 86611091
N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 87867933
5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one
CID 91490346
N-[[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 173145657

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 152781797) is N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(Nc3c(-c4nccs4)oc4cnccc34)ccc21.
What is the InChIKey of N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is BWDSYYPJZWILJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-23-15-4-1-11-9-12(2-3-13(11)15)22-17-14-5-6-20-10-16(14)25-18(17)19-21-7-8-26-19/h2-3,5-10,22,24H,1,4H2.
What are the key properties of N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 362.41 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 152781797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).