N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide

C15H24N4O2S — CID 12831797

IUPACN-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)10-9-16-13(20)14(21)18-15-17-11-7-5-6-8-12(11)22-15/h3-10H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyZLBDSCYMUIXPNR-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide

N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide (PubChem CID 12831797) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
PubChem CID12831797
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)10-9-16-13(20)14(21)18-15-17-11-7-5-6-8-12(11)22-15/h3-10H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyZLBDSCYMUIXPNR-UHFFFAOYSA-N
XLogP1.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide (CID 12831797) is N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide is CCN(CC)CCNC(=O)C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide?
The InChIKey is ZLBDSCYMUIXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-19(4-2)10-9-16-13(20)14(21)18-15-17-11-7-5-6-8-12(11)22-15/h3-10H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide?
N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide has a molecular weight of 324.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxamide is sourced from PubChem (CID 12831797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).