2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

C18H16N4O3S — CID 1069872

IUPAC2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C18H16N4O3S/c1-10-3-8-14(11(2)9-10)20-17(23)16-15(21-18(19)26-16)12-4-6-13(7-5-12)22(24)25/h3-9H,1-2H3,(H2,19,21)(H,20,23)
InChIKeyHMEPGTZZFGZJNH-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.17
Rot. Bonds4

About 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 1069872) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID1069872
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C18H16N4O3S/c1-10-3-8-14(11(2)9-10)20-17(23)16-15(21-18(19)26-16)12-4-6-13(7-5-12)22(24)25/h3-9H,1-2H3,(H2,19,21)(H,20,23)
InChIKeyHMEPGTZZFGZJNH-UHFFFAOYSA-N
XLogP4.17
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide 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 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 1069872) is 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HMEPGTZZFGZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-3-8-14(11(2)9-10)20-17(23)16-15(21-18(19)26-16)12-4-6-13(7-5-12)22(24)25/h3-9H,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1069872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).