N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide

C12H12N4O2S — CID 13443927

IUPACN,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)/C=N/c1ncc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H12N4O2S/c1-15(2)8-14-12-13-7-11(19-12)9-3-5-10(6-4-9)16(17)18/h3-8H,1-2H3/b14-8+
InChIKeyDSVHMKFGJVOHAL-RIYZIHGNSA-N
MW276.32 g/mol
LogP2.94
Rot. Bonds4

About N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide

N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide (PubChem CID 13443927) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide
PubChem CID13443927
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)/C=N/c1ncc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H12N4O2S/c1-15(2)8-14-12-13-7-11(19-12)9-3-5-10(6-4-9)16(17)18/h3-8H,1-2H3/b14-8+
InChIKeyDSVHMKFGJVOHAL-RIYZIHGNSA-N
XLogP2.94
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135610640
2-bromo-4-[(E)-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135624867
N,N-dimethyl-N'-(5-nitro-1,3-benzothiazol-2-yl)methanimidamide
CID 121215620
2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
CID 58780787
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
CID 21100331
5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
CID 166539493
2,3,3-trimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 174686257
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine
CID 5365306

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide (CID 13443927) is N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide is CN(C)/C=N/c1ncc(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide?
The InChIKey is DSVHMKFGJVOHAL-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-15(2)8-14-12-13-7-11(19-12)9-3-5-10(6-4-9)16(17)18/h3-8H,1-2H3/b14-8+.
What are the key properties of N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide?
N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide has a molecular weight of 276.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide is sourced from PubChem (CID 13443927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).