(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide

C7H8ClN5O2S — CID 135532694

IUPAC(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S/c8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15/h3H,1-2,4H2,(H,9,11)
InChIKeyOWRSHPAYDYCHSJ-UHFFFAOYSA-N
MW261.69 g/mol
LogP0.75
Rot. Bonds3

About (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide

(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide (PubChem CID 135532694) has the molecular formula C7H8ClN5O2S and a molecular weight of 261.69 g/mol. Its IUPAC name is (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
PubChem CID135532694
Molecular FormulaC7H8ClN5O2S
Molecular Weight261.69 g/mol
Exact Mass261.01
IUPAC Name(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S/c8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15/h3H,1-2,4H2,(H,9,11)
InChIKeyOWRSHPAYDYCHSJ-UHFFFAOYSA-N
XLogP0.75
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Clothianidin
CID 86287519
1-[(2-Chlorothiazol-5-yl)methyl]-2-methyl-3-nitro-guanidine
CID 213027
(E)-N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N''-nitroguanidine
CID 135529435
Thiamethoxam desmethyl
CID 136139145
Imidaclothiz
CID 184601
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole
CID 9795178
(E)-1-N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
CID 18372027
(E)-1-N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N-methyl-2-nitroethene-1,1-diamine
CID 10198828
Imidazolidine2nitromethylene12chlorothiazol5ylme
CID 3037470
N-(2-chloro-5-thiazolylmethyl)-N'-methyl-N"-nitroguanidine
CID 135779804
(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide
CID 10892077
[(E)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]-nitromethyl] thiocyanate
CID 76311963

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide (CID 135532694) is (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide is O=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is OWRSHPAYDYCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2S/c8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15/h3H,1-2,4H2,(H,9,11).
What are the key properties of (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide?
(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 261.69 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 135532694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).