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

C10H15ClN6O2S — CID 23391936

IUPAC(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESCCN1CN(C)/C(=N/[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN6O2S/c1-3-15-6-14(2)10(13-17(18)19)16(7-15)5-8-4-12-9(11)20-8/h4H,3,5-7H2,1-2H3/b13-10-
InChIKeyWFDLASOOKGHPOO-RAXLEYEMSA-N
MW318.79 g/mol
LogP1.33
Rot. Bonds4

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

(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide (PubChem CID 23391936) has the molecular formula C10H15ClN6O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
PubChem CID23391936
Molecular FormulaC10H15ClN6O2S
Molecular Weight318.79 g/mol
Exact Mass318.07
IUPAC Name(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESCCN1CN(C)/C(=N/[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN6O2S/c1-3-15-6-14(2)10(13-17(18)19)16(7-15)5-8-4-12-9(11)20-8/h4H,3,5-7H2,1-2H3/b13-10-
InChIKeyWFDLASOOKGHPOO-RAXLEYEMSA-N
XLogP1.33
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 51.33
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide (CID 23391936) is (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-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-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide is CCN1CN(C)/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-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide?
The InChIKey is WFDLASOOKGHPOO-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H15ClN6O2S/c1-3-15-6-14(2)10(13-17(18)19)16(7-15)5-8-4-12-9(11)20-8/h4H,3,5-7H2,1-2H3/b13-10-.
What are the key properties of (NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide?
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide has a molecular weight of 318.79 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 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-ethyl-3-methyl-1,3,5-triazinan-2-ylidene]nitramide is sourced from PubChem (CID 23391936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).