N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide

C14H19N3OS — CID 14762224

IUPACN-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1nsc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)10-9-13(18)15-14-11-7-5-6-8-12(11)19-16-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18)
InChIKeyLTOCRTLJPVOFPJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds6

About N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide

N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide (PubChem CID 14762224) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide
PubChem CID14762224
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)Nc1nsc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)10-9-13(18)15-14-11-7-5-6-8-12(11)19-16-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18)
InChIKeyLTOCRTLJPVOFPJ-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide (CID 14762224) is N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide is CCN(CC)CCC(=O)Nc1nsc2ccccc12.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide?
The InChIKey is LTOCRTLJPVOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-17(4-2)10-9-13(18)15-14-11-7-5-6-8-12(11)19-16-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18).
What are the key properties of N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide?
N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide has a molecular weight of 277.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide is sourced from PubChem (CID 14762224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).