4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide

C13H15FN4OS — CID 116665584

IUPAC4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(N(C)C)nc2N)ccc1F
InChIInChI=1S/C13H15FN4OS/c1-7-6-8(4-5-9(7)14)16-12(19)10-11(15)17-13(20-10)18(2)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyYXLVEWXMSOCLNA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116665584) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116665584
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(N(C)C)nc2N)ccc1F
InChIInChI=1S/C13H15FN4OS/c1-7-6-8(4-5-9(7)14)16-12(19)10-11(15)17-13(20-10)18(2)3/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyYXLVEWXMSOCLNA-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-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

Related Compounds

4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 107806799
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116665584) is 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(N(C)C)nc2N)ccc1F.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YXLVEWXMSOCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-7-6-8(4-5-9(7)14)16-12(19)10-11(15)17-13(20-10)18(2)3/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).