N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C18H21N3O2S — CID 7208550

IUPACN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccco3)sc2c1
InChIInChI=1S/C18H21N3O2S/c1-13-7-8-14-16(12-13)24-18(19-14)21(10-5-9-20(2)3)17(22)15-6-4-11-23-15/h4,6-8,11-12H,5,9-10H2,1-3H3
InChIKeyHZZIGAZWBCZCLP-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.80
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7208550) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7208550
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccco3)sc2c1
InChIInChI=1S/C18H21N3O2S/c1-13-7-8-14-16(12-13)24-18(19-14)21(10-5-9-20(2)3)17(22)15-6-4-11-23-15/h4,6-8,11-12H,5,9-10H2,1-3H3
InChIKeyHZZIGAZWBCZCLP-UHFFFAOYSA-N
XLogP3.80
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7208550) is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccco3)sc2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is HZZIGAZWBCZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-7-8-14-16(12-13)24-18(19-14)21(10-5-9-20(2)3)17(22)15-6-4-11-23-15/h4,6-8,11-12H,5,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7208550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).