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

C8H9ClN4O3S — CID 72584491

IUPACN-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide
SMILESO=[N+]([O-])N=C1COCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O3S/c9-8-10-3-6(17-8)4-12-1-2-16-5-7(12)11-13(14)15/h3H,1-2,4-5H2
InChIKeyPPMXDYGMUPYMTH-UHFFFAOYSA-N
MW276.70 g/mol
LogP1.22
Rot. Bonds3

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

N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide (PubChem CID 72584491) has the molecular formula C8H9ClN4O3S and a molecular weight of 276.70 g/mol. Its IUPAC name is N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide.

Molecular Properties

Compound NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide
PubChem CID72584491
Molecular FormulaC8H9ClN4O3S
Molecular Weight276.70 g/mol
Exact Mass276.01
IUPAC NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide
SMILESO=[N+]([O-])N=C1COCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O3S/c9-8-10-3-6(17-8)4-12-1-2-16-5-7(12)11-13(14)15/h3H,1-2,4-5H2
InChIKeyPPMXDYGMUPYMTH-UHFFFAOYSA-N
XLogP1.22
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 51.22
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'}

Analyze N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide?
The IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide (CID 72584491) is N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide.
What is the SMILES notation for N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide?
The canonical SMILES for N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide is O=[N+]([O-])N=C1COCCN1Cc1cnc(Cl)s1.
What is the InChIKey of N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide?
The InChIKey is PPMXDYGMUPYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3S/c9-8-10-3-6(17-8)4-12-1-2-16-5-7(12)11-13(14)15/h3H,1-2,4-5H2.
What are the key properties of N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide?
N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide has a molecular weight of 276.70 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide is sourced from PubChem (CID 72584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).