4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide

C18H23N5O2S — CID 52905799

IUPAC4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1N
InChIInChI=1S/C18H23N5O2S/c1-11-5-4-6-13(12(11)2)22-7-9-23(10-8-22)18(25)16-14(19)15(21-26-16)17(24)20-3/h4-6H,7-10,19H2,1-3H3,(H,20,24)
InChIKeyLNNZYKJYZJNQFQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide

4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 52905799) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID52905799
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1N
InChIInChI=1S/C18H23N5O2S/c1-11-5-4-6-13(12(11)2)22-7-9-23(10-8-22)18(25)16-14(19)15(21-26-16)17(24)20-3/h4-6H,7-10,19H2,1-3H3,(H,20,24)
InChIKeyLNNZYKJYZJNQFQ-UHFFFAOYSA-N
XLogP1.66
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-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-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
N-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53091456
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 100751410
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136832045

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide (CID 52905799) is 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide is CNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1N.
What is the InChIKey of 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is LNNZYKJYZJNQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11-5-4-6-13(12(11)2)22-7-9-23(10-8-22)18(25)16-14(19)15(21-26-16)17(24)20-3/h4-6H,7-10,19H2,1-3H3,(H,20,24).
What are the key properties of 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide?
4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 52905799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).