N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H25N3O3S — CID 7208471

IUPACN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccco3)nc12
InChIInChI=1S/C20H25N3O3S/c1-4-22(5-2)12-13-23(19(24)16-10-8-14-26-16)20-21-18-15(25-6-3)9-7-11-17(18)27-20/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyJIDDOGGKVRBNLJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.28
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7208471) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7208471
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccco3)nc12
InChIInChI=1S/C20H25N3O3S/c1-4-22(5-2)12-13-23(19(24)16-10-8-14-26-16)20-21-18-15(25-6-3)9-7-11-17(18)27-20/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyJIDDOGGKVRBNLJ-UHFFFAOYSA-N
XLogP4.28
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7208471) is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccco3)nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is JIDDOGGKVRBNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-22(5-2)12-13-23(19(24)16-10-8-14-26-16)20-21-18-15(25-6-3)9-7-11-17(18)27-20/h7-11,14H,4-6,12-13H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7208471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).