N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H25N3O2S — CID 7208445

IUPACN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccco3)sc2c1
InChIInChI=1S/C20H25N3O2S/c1-4-15-9-10-16-18(14-15)26-20(21-16)23(12-11-22(5-2)6-3)19(24)17-8-7-13-25-17/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyCRHXVKVKMLDPQD-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.44
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7208445) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7208445
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccco3)sc2c1
InChIInChI=1S/C20H25N3O2S/c1-4-15-9-10-16-18(14-15)26-20(21-16)23(12-11-22(5-2)6-3)19(24)17-8-7-13-25-17/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyCRHXVKVKMLDPQD-UHFFFAOYSA-N
XLogP4.44
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.44
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-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7208445) is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccco3)sc2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is CRHXVKVKMLDPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-15-9-10-16-18(14-15)26-20(21-16)23(12-11-22(5-2)6-3)19(24)17-8-7-13-25-17/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.44, 8 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-(6-ethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7208445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).