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

C19H23N3O2S — CID 7208931

IUPACN-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2sc(N(CCCN(C)C)C(=O)c3ccco3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyQYSBTMVSMKVLFI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.10
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7208931) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7208931
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2sc(N(CCCN(C)C)C(=O)c3ccco3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyQYSBTMVSMKVLFI-UHFFFAOYSA-N
XLogP4.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.10
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-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7208931) is N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc2sc(N(CCCN(C)C)C(=O)c3ccco3)nc2c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is QYSBTMVSMKVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-8-9-16-17(14(13)2)20-19(25-16)22(11-6-10-21(3)4)18(23)15-7-5-12-24-15/h5,7-9,12H,6,10-11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.10, 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-(4,5-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7208931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).