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

C7H8ClN5O2S2 — CID 177454770

IUPAC(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCSCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S2/c8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h1H,2-4H2,(H,10,11)
InChIKeyOXKZSJYIXIFELS-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.40
Rot. Bonds3

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

(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide (PubChem CID 177454770) has the molecular formula C7H8ClN5O2S2 and a molecular weight of 293.76 g/mol. Its IUPAC name is (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide
PubChem CID177454770
Molecular FormulaC7H8ClN5O2S2
Molecular Weight293.76 g/mol
Exact Mass292.98
IUPAC Name(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCSCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S2/c8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h1H,2-4H2,(H,10,11)
InChIKeyOXKZSJYIXIFELS-UHFFFAOYSA-N
XLogP1.40
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide?
The IUPAC name of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide (CID 177454770) is (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide is O=[N+]([O-])/N=C1/NCSCN1Cc1cnc(Cl)s1.
What is the InChIKey of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide?
The InChIKey is OXKZSJYIXIFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2S2/c8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h1H,2-4H2,(H,10,11).
What are the key properties of (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide?
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide has a molecular weight of 293.76 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide is sourced from PubChem (CID 177454770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).