N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine

C11H11N3O2S — CID 9011754

IUPACN-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-8(5-10(7)14(15)16)9-6-17-11(12-2)13-9/h3-6H,1-2H3,(H,12,13)
InChIKeyWGTRBJPPVHJDMQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.07
Rot. Bonds3

About N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine

N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 9011754) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID9011754
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-8(5-10(7)14(15)16)9-6-17-11(12-2)13-9/h3-6H,1-2H3,(H,12,13)
InChIKeyWGTRBJPPVHJDMQ-UHFFFAOYSA-N
XLogP3.07
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine 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

4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
CID 114059915
4-(4-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 86913456
2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 134041759
2-cyclopentyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 71943790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469346
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 134041781

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine (CID 9011754) is N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is WGTRBJPPVHJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-4-8(5-10(7)14(15)16)9-6-17-11(12-2)13-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine?
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 249.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9011754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).