(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

C14H11N3OS2 — CID 136699796

IUPAC(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(-c2ccncc2)nc1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c1-9(17-18)13-12(11-3-2-8-19-11)16-14(20-13)10-4-6-15-7-5-10/h2-8,18H,1H3/b17-9+
InChIKeyXEERZKNDTLTSCP-RQZCQDPDSA-N
MW301.40 g/mol
LogP4.13
Rot. Bonds3

About (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (PubChem CID 136699796) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
PubChem CID136699796
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(-c2ccncc2)nc1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c1-9(17-18)13-12(11-3-2-8-19-11)16-14(20-13)10-4-6-15-7-5-10/h2-8,18H,1H3/b17-9+
InChIKeyXEERZKNDTLTSCP-RQZCQDPDSA-N
XLogP4.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (CID 136699796) is (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is C/C(=N\O)c1sc(-c2ccncc2)nc1-c1cccs1.
What is the InChIKey of (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is XEERZKNDTLTSCP-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-9(17-18)13-12(11-3-2-8-19-11)16-14(20-13)10-4-6-15-7-5-10/h2-8,18H,1H3/b17-9+.
What are the key properties of (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 301.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 136699796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).