N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

C20H21N3O3S2 — CID 17012719

IUPACN-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C20H21N3O3S2/c1-15-5-2-3-8-18(15)21-20-22-19(14-27-20)16-6-4-7-17(13-16)28(24,25)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3,(H,21,22)
InChIKeyMGJVDKJDLUPYFI-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.88
Rot. Bonds5

About N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 17012719) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID17012719
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C20H21N3O3S2/c1-15-5-2-3-8-18(15)21-20-22-19(14-27-20)16-6-4-7-17(13-16)28(24,25)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3,(H,21,22)
InChIKeyMGJVDKJDLUPYFI-UHFFFAOYSA-N
XLogP3.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
2-methoxy-4-[(Z)-[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135650246
N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2854838
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 17012719) is N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is Cc1ccccc1Nc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MGJVDKJDLUPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-15-5-2-3-8-18(15)21-20-22-19(14-27-20)16-6-4-7-17(13-16)28(24,25)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3,(H,21,22).
What are the key properties of N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 415.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 17012719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).