N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride

C25H29ClN4O4S2 — CID 10325222

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1C.Cl
InChIInChI=1S/C25H28N4O4S2.ClH/c1-16-4-3-5-22(17(16)2)29(24(31)19-10-12-35(32,33)13-11-19)14-23(30)27-20-8-6-18(7-9-20)21-15-34-25(26)28-21;/h3-9,15,19H,10-14H2,1-2H3,(H2,26,28)(H,27,30);1H
InChIKeyJVYMUOGYDSCTCV-UHFFFAOYSA-N
MW549.12 g/mol
LogP4.23
Rot. Bonds6

About N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride (PubChem CID 10325222) has the molecular formula C25H29ClN4O4S2 and a molecular weight of 549.12 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
PubChem CID10325222
Molecular FormulaC25H29ClN4O4S2
Molecular Weight549.12 g/mol
Exact Mass548.13
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1C.Cl
InChIInChI=1S/C25H28N4O4S2.ClH/c1-16-4-3-5-22(17(16)2)29(24(31)19-10-12-35(32,33)13-11-19)14-23(30)27-20-8-6-18(7-9-20)21-15-34-25(26)28-21;/h3-9,15,19H,10-14H2,1-2H3,(H2,26,28)(H,27,30);1H
InChIKeyJVYMUOGYDSCTCV-UHFFFAOYSA-N
XLogP4.23
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.12
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride 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

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 10076210
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N-(3,5-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
CID 11663016
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[2-(2,6-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
CID 5272413
N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-4-carboxamide
CID 11540540
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(1,3-benzothiazol-6-yl)-2-(4-hydroxycyclohexyl)acetamide;hydrochloride
CID 131725161
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-4-fluoro-N-(4-methylsulfinylphenyl)benzamide;hydrochloride
CID 22318083
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 5272445

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride (CID 10325222) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride is Cc1cccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)C2CCS(=O)(=O)CC2)c1C.Cl.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride?
The InChIKey is JVYMUOGYDSCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S2.ClH/c1-16-4-3-5-22(17(16)2)29(24(31)19-10-12-35(32,33)13-11-19)14-23(30)27-20-8-6-18(7-9-20)21-15-34-25(26)28-21;/h3-9,15,19H,10-14H2,1-2H3,(H2,26,28)(H,27,30);1H.
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride has a molecular weight of 549.12 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride is sourced from PubChem (CID 10325222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).