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

C8H11ClN6O2S — CID 135778494

IUPAC(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESCN1CN/C(=N/[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C8H11ClN6O2S/c1-13-4-11-8(12-15(16)17)14(5-13)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3,(H,11,12)
InChIKeyPUDCRNLWGSECKX-UHFFFAOYSA-N
MW290.74 g/mol
LogP0.60
Rot. Bonds3

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

(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide (PubChem CID 135778494) has the molecular formula C8H11ClN6O2S and a molecular weight of 290.74 g/mol. Its IUPAC name is (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
PubChem CID135778494
Molecular FormulaC8H11ClN6O2S
Molecular Weight290.74 g/mol
Exact Mass290.04
IUPAC Name(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESCN1CN/C(=N/[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C8H11ClN6O2S/c1-13-4-11-8(12-15(16)17)14(5-13)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3,(H,11,12)
InChIKeyPUDCRNLWGSECKX-UHFFFAOYSA-N
XLogP0.60
TPSA86.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 172949263
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 136985349
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazinan-2-ylidene]nitramide
CID 135852985
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide
CID 177454770
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 23391936
(NE)-N-[5-amino-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3-diazinan-2-ylidene]nitramide
CID 88935776
N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide
CID 72584491
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-propan-2-yl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778493
(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
CID 135411319
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135686632
N-[5-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1,3-oxazinan-4-ylidene]nitramide
CID 72613182
N-[3-[1-(2-chloro-1,3-thiazol-5-yl)ethyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 139664871

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide (CID 135778494) is (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide is CN1CN/C(=N/[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.
What is the InChIKey of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The InChIKey is PUDCRNLWGSECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6O2S/c1-13-4-11-8(12-15(16)17)14(5-13)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3,(H,11,12).
What are the key properties of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide?
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide has a molecular weight of 290.74 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide is sourced from PubChem (CID 135778494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).