2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide

C20H24N4O5S — CID 58597672

IUPAC2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide
SMILESCC[C@@H](NC1=CS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
InChIInChI=1S/C20H24N4O5S/c1-5-14(17-10-9-12(2)29-17)21-16-11-30(27,28)23-19(16)22-15-8-6-7-13(18(15)25)20(26)24(3)4/h6-11,14,21,25H,5H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyZRCGWHKVNROFCP-CQSZACIVSA-N
MW432.50 g/mol
LogP2.73
Rot. Bonds6

About 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide

2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide (PubChem CID 58597672) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide
PubChem CID58597672
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide
SMILESCC[C@@H](NC1=CS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
InChIInChI=1S/C20H24N4O5S/c1-5-14(17-10-9-12(2)29-17)21-16-11-30(27,28)23-19(16)22-15-8-6-7-13(18(15)25)20(26)24(3)4/h6-11,14,21,25H,5H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyZRCGWHKVNROFCP-CQSZACIVSA-N
XLogP2.73
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide (CID 58597672) is 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide is CC[C@@H](NC1=CS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide?
The InChIKey is ZRCGWHKVNROFCP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-5-14(17-10-9-12(2)29-17)21-16-11-30(27,28)23-19(16)22-15-8-6-7-13(18(15)25)20(26)24(3)4/h6-11,14,21,25H,5H2,1-4H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide?
2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide has a molecular weight of 432.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide is sourced from PubChem (CID 58597672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).