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

C10H8ClN3OS — CID 131732978

IUPACN-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H8ClN3OS/c1-6(14-15)8-9(11)13-10(16-8)7-3-2-4-12-5-7/h2-5,15H,1H3
InChIKeyKNVSDWPLUJOHNZ-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.06
Rot. Bonds2

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

N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (PubChem CID 131732978) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
PubChem CID131732978
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC NameN-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H8ClN3OS/c1-6(14-15)8-9(11)13-10(16-8)7-3-2-4-12-5-7/h2-5,15H,1H3
InChIKeyKNVSDWPLUJOHNZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(4,6-dimethoxypyrimidin-2-yl)oxy-2,2,2-trifluoroethanimine
CID 123774821
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 123366475
N-(4-chloro-6-methylpyrimidin-2-yl)oxy-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123527684
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
(E)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 90440045
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123482726
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (CID 131732978) is N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is CC(=NO)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is KNVSDWPLUJOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6(14-15)8-9(11)13-10(16-8)7-3-2-4-12-5-7/h2-5,15H,1H3.
What are the key properties of N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 253.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 131732978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).