1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

C16H19ClN4O2S — CID 72720282

IUPAC1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)cc1.Cl
InChIInChI=1S/C16H18N4O2S.ClH/c1-19(2)13-5-3-11(4-6-13)17-16-18-12(10-23-16)9-20-14(21)7-8-15(20)22;/h3-6,10H,7-9H2,1-2H3,(H,17,18);1H
InChIKeyWTXVKFSKUPHNAW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.02
Rot. Bonds5

About 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 72720282) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID72720282
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)cc1.Cl
InChIInChI=1S/C16H18N4O2S.ClH/c1-19(2)13-5-3-11(4-6-13)17-16-18-12(10-23-16)9-20-14(21)7-8-15(20)22;/h3-6,10H,7-9H2,1-2H3,(H,17,18);1H
InChIKeyWTXVKFSKUPHNAW-UHFFFAOYSA-N
XLogP3.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 72720282) is 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is CN(C)c1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)cc1.Cl.
What is the InChIKey of 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is WTXVKFSKUPHNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S.ClH/c1-19(2)13-5-3-11(4-6-13)17-16-18-12(10-23-16)9-20-14(21)7-8-15(20)22;/h3-6,10H,7-9H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 72720282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).