1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine

C7H10ClN5O2S — CID 15171105

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine
SMILESC/N=C(\N[N+](=O)[O-])N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C7H10ClN5O2S/c1-9-7(11-13(14)15)12(2)4-5-3-10-6(8)16-5/h3H,4H2,1-2H3,(H,9,11)
InChIKeyFQJLOKMVMJMUCK-UHFFFAOYSA-N
MW263.71 g/mol
LogP1.00
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine (PubChem CID 15171105) has the molecular formula C7H10ClN5O2S and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine
PubChem CID15171105
Molecular FormulaC7H10ClN5O2S
Molecular Weight263.71 g/mol
Exact Mass263.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine
SMILESC/N=C(\N[N+](=O)[O-])N(C)Cc1cnc(Cl)s1
InChIInChI=1S/C7H10ClN5O2S/c1-9-7(11-13(14)15)12(2)4-5-3-10-6(8)16-5/h3H,4H2,1-2H3,(H,9,11)
InChIKeyFQJLOKMVMJMUCK-UHFFFAOYSA-N
XLogP1.00
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine 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 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine (CID 15171105) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine is C/N=C(\N[N+](=O)[O-])N(C)Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine?
The InChIKey is FQJLOKMVMJMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O2S/c1-9-7(11-13(14)15)12(2)4-5-3-10-6(8)16-5/h3H,4H2,1-2H3,(H,9,11).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine has a molecular weight of 263.71 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,2-dimethyl-3-nitroguanidine is sourced from PubChem (CID 15171105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).