2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide

C12H15N3OS — CID 43545365

IUPAC2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nc2ccccc2s1)C(N)=O
InChIInChI=1S/C12H15N3OS/c1-7(11(13)16)14-8(2)12-15-9-5-3-4-6-10(9)17-12/h3-8,14H,1-2H3,(H2,13,16)
InChIKeyNCIXSQAYKQMTPK-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide

2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide (PubChem CID 43545365) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
PubChem CID43545365
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nc2ccccc2s1)C(N)=O
InChIInChI=1S/C12H15N3OS/c1-7(11(13)16)14-8(2)12-15-9-5-3-4-6-10(9)17-12/h3-8,14H,1-2H3,(H2,13,16)
InChIKeyNCIXSQAYKQMTPK-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
CID 43231791
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81398235
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide (CID 43545365) is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide is CC(NC(C)c1nc2ccccc2s1)C(N)=O.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide?
The InChIKey is NCIXSQAYKQMTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7(11(13)16)14-8(2)12-15-9-5-3-4-6-10(9)17-12/h3-8,14H,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide?
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide has a molecular weight of 249.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide is sourced from PubChem (CID 43545365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).