(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide

C12H11N5OS — CID 146034448

IUPAC(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESNC(N)=NC(=O)/C(=C/c1nccs1)c1cccnc1
InChIInChI=1S/C12H11N5OS/c13-12(14)17-11(18)9(6-10-16-4-5-19-10)8-2-1-3-15-7-8/h1-7H,(H4,13,14,17,18)/b9-6+
InChIKeyUFNXBPRFGJMHME-RMKNXTFCSA-N
MW273.32 g/mol
LogP0.88
Rot. Bonds3

About (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide

(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 146034448) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID146034448
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESNC(N)=NC(=O)/C(=C/c1nccs1)c1cccnc1
InChIInChI=1S/C12H11N5OS/c13-12(14)17-11(18)9(6-10-16-4-5-19-10)8-2-1-3-15-7-8/h1-7H,(H4,13,14,17,18)/b9-6+
InChIKeyUFNXBPRFGJMHME-RMKNXTFCSA-N
XLogP0.88
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide
CID 146030557
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
pyridine-3-carboxamide;1,3-thiazole
CID 174906331
(Z)-2-(4-methylsulfonylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 21094115
potassium;ethene;pyridine-3-carboxamide
CID 174767244
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid
CID 54298890
pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81144115

Frequently Asked Questions

What is the IUPAC name of (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide (CID 146034448) is (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide is NC(N)=NC(=O)/C(=C/c1nccs1)c1cccnc1.
What is the InChIKey of (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is UFNXBPRFGJMHME-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-12(14)17-11(18)9(6-10-16-4-5-19-10)8-2-1-3-15-7-8/h1-7H,(H4,13,14,17,18)/b9-6+.
What are the key properties of (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 273.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 146034448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).