(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide

C9H7ClN4O2S — CID 14279649

IUPAC(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN4O2S/c10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16/h1-5H,6H2/b12-9-
InChIKeyAOOOIKZSTAKHBL-XFXZXTDPSA-N
MW270.70 g/mol
LogP1.74
Rot. Bonds3

About (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide

(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide (PubChem CID 14279649) has the molecular formula C9H7ClN4O2S and a molecular weight of 270.70 g/mol. Its IUPAC name is (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide
PubChem CID14279649
Molecular FormulaC9H7ClN4O2S
Molecular Weight270.70 g/mol
Exact Mass270.00
IUPAC Name(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\sccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN4O2S/c10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16/h1-5H,6H2/b12-9-
InChIKeyAOOOIKZSTAKHBL-XFXZXTDPSA-N
XLogP1.74
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Imidacloprid
CID 86287518
(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
CID 115224
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 86418
1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CID 183033
Thiacloprid amide
CID 86222983
(Z)-N-(1-((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide
CID 135541675
3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 9859386
(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1H-imidazol-2-ylidene]nitramide
CID 136866805
1-[(6-Chloro-3-pyridinyl)methyl]-2-nitroguanidine
CID 137137661
3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-2-ylideneamine
CID 10130752
2-Chloro-5-(2-nitromethylene-2,3-dihydro-imidazol-1-ylmethyl)-pyridine
CID 15753505

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide (CID 14279649) is (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide is O=[N+]([O-])/N=c1\sccn1Cc1ccc(Cl)nc1.
What is the InChIKey of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide?
The InChIKey is AOOOIKZSTAKHBL-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H7ClN4O2S/c10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16/h1-5H,6H2/b12-9-.
What are the key properties of (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide?
(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide has a molecular weight of 270.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]nitramide is sourced from PubChem (CID 14279649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).