(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide

C10H14N4O3S — CID 88530649

IUPAC(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide
SMILESCc1ncc(CC2COCN(C)/C2=N\[N+](=O)[O-])s1
InChIInChI=1S/C10H14N4O3S/c1-7-11-4-9(18-7)3-8-5-17-6-13(2)10(8)12-14(15)16/h4,8H,3,5-6H2,1-2H3/b12-10-
InChIKeyXHZOGHMKLXXNOW-BENRWUELSA-N
MW270.31 g/mol
LogP1.12
Rot. Bonds3

About (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide

(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide (PubChem CID 88530649) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide
PubChem CID88530649
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide
SMILESCc1ncc(CC2COCN(C)/C2=N\[N+](=O)[O-])s1
InChIInChI=1S/C10H14N4O3S/c1-7-11-4-9(18-7)3-8-5-17-6-13(2)10(8)12-14(15)16/h4,8H,3,5-6H2,1-2H3/b12-10-
InChIKeyXHZOGHMKLXXNOW-BENRWUELSA-N
XLogP1.12
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.12
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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Related Compounds

(NZ)-N-[5-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1,3-oxazinan-4-ylidene]nitramide
CID 59981626
N-[5-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1,3-oxazinan-4-ylidene]nitramide
CID 72613182

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide?
The IUPAC name of (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide (CID 88530649) is (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide is Cc1ncc(CC2COCN(C)/C2=N\[N+](=O)[O-])s1.
What is the InChIKey of (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide?
The InChIKey is XHZOGHMKLXXNOW-BENRWUELSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-7-11-4-9(18-7)3-8-5-17-6-13(2)10(8)12-14(15)16/h4,8H,3,5-6H2,1-2H3/b12-10-.
What are the key properties of (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide?
(NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide has a molecular weight of 270.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-oxazinan-4-ylidene]nitramide is sourced from PubChem (CID 88530649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).