N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H25N3O2S — CID 7208501

IUPACN-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C20H25N3O2S/c1-5-22(6-2)11-12-23(19(24)16-8-7-13-25-16)20-21-18-15(4)14(3)9-10-17(18)26-20/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyHOCPORRYAMNYSB-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7208501) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7208501
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C20H25N3O2S/c1-5-22(6-2)11-12-23(19(24)16-8-7-13-25-16)20-21-18-15(4)14(3)9-10-17(18)26-20/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyHOCPORRYAMNYSB-UHFFFAOYSA-N
XLogP4.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7208501) is N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)c(C)ccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is HOCPORRYAMNYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-22(6-2)11-12-23(19(24)16-8-7-13-25-16)20-21-18-15(4)14(3)9-10-17(18)26-20/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7208501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).