2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole

C28H40N6O5S2 — CID 158163290

IUPAC2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
SMILESCC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3
InChIKeyFWNPRJYBRAGLJD-UHFFFAOYSA-N
MW604.80 g/mol
LogP5.57
Rot. Bonds9

About 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole

2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole (PubChem CID 158163290) has the molecular formula C28H40N6O5S2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
PubChem CID158163290
Molecular FormulaC28H40N6O5S2
Molecular Weight604.80 g/mol
Exact Mass604.25
IUPAC Name2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
SMILESCC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3
InChIKeyFWNPRJYBRAGLJD-UHFFFAOYSA-N
XLogP5.57
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole (CID 158163290) is 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole is CC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1.
What is the InChIKey of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The InChIKey is FWNPRJYBRAGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole has a molecular weight of 604.80 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 158163290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).