(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride

C13H16ClN3OS — CID 175911624

IUPAC(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1cnc(CCCCc2cccnc2)s1
InChIInChI=1S/C13H15N3OS.ClH/c17-16-10-12-9-15-13(18-12)6-2-1-4-11-5-3-7-14-8-11;/h3,5,7-10,17H,1-2,4,6H2;1H/b16-10-;
InChIKeyIYVVCLCGXCOBMG-HYMQDMCPSA-N
MW297.81 g/mol
LogP3.33
Rot. Bonds6

About (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride

(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride (PubChem CID 175911624) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
PubChem CID175911624
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=C\c1cnc(CCCCc2cccnc2)s1
InChIInChI=1S/C13H15N3OS.ClH/c17-16-10-12-9-15-13(18-12)6-2-1-4-11-5-3-7-14-8-11;/h3,5,7-10,17H,1-2,4,6H2;1H/b16-10-;
InChIKeyIYVVCLCGXCOBMG-HYMQDMCPSA-N
XLogP3.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(NE)-N-[[5-(2-pyridin-3-ylethyl)pyrazin-2-yl]methylidene]hydroxylamine
CID 162753346
N-[[2-(2-pyridin-3-ylethyl)-1,3-oxazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 168824427
8-pyridin-3-yloctan-1-ol
CID 11830623
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
(NE)-N-[[4-(2-pyridin-3-ylethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
CID 168824413
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
(NZ)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 175867150
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
5-pyridin-3-ylpentanedithioic acid
CID 87480230
3-(5-methylhexyl)pyridine
CID 54316004

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride (CID 175911624) is (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride is Cl.O/N=C\c1cnc(CCCCc2cccnc2)s1.
What is the InChIKey of (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride?
The InChIKey is IYVVCLCGXCOBMG-HYMQDMCPSA-N. The full InChI is InChI=1S/C13H15N3OS.ClH/c17-16-10-12-9-15-13(18-12)6-2-1-4-11-5-3-7-14-8-11;/h3,5,7-10,17H,1-2,4,6H2;1H/b16-10-;.
What are the key properties of (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride?
(NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(4-pyridin-3-ylbutyl)-1,3-thiazol-5-yl]methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 175911624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).