2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide

C13H18N4OS — CID 103106749

IUPAC2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc2scnc2c1N
InChIInChI=1S/C13H18N4OS/c1-4-17(3)13(18)8(2)16-9-5-6-10-12(11(9)14)15-7-19-10/h5-8,16H,4,14H2,1-3H3
InChIKeyXIMBWIKYVNCTIT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.16
Rot. Bonds4

About 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide

2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103106749) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103106749
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc2scnc2c1N
InChIInChI=1S/C13H18N4OS/c1-4-17(3)13(18)8(2)16-9-5-6-10-12(11(9)14)15-7-19-10/h5-8,16H,4,14H2,1-3H3
InChIKeyXIMBWIKYVNCTIT-UHFFFAOYSA-N
XLogP2.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzo(d)thiazole-4,5-diamine
CID 43451390
N-(1,3-benzothiazol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 49778310
1-(4-Acetylpiperazin-1-yl)-2-(1,3-benzothiazol-6-ylamino)ethanone
CID 56816858
N-(1,3-Benzothiazol-5-yl)acetamide
CID 285205
2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-prop-2-enylpropanamide
CID 45856939
N-(1,3-benzothiazol-5-yl)-2-methyl-1-propanoylazetidine-2-carboxamide
CID 49789527
N-(1,3-benzothiazol-5-yl)-1-butanoyl-2-methylazetidine-2-carboxamide
CID 49791466
1-(4-Acetylpiperazin-1-yl)-2-(1,3-benzothiazol-6-ylamino)propan-1-one
CID 56817006
N-(1,3-benzothiazol-5-yl)2,2-dimethylpropionamide
CID 19851311
N-(benzo[d]thiazol-5-yl)propionamide
CID 21755598
3-[2-(Isopropylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
CID 2843386
N-(1,3-benzothiazol-5-yl)cyclopropanecarboxamide
CID 40805337

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide (CID 103106749) is 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc2scnc2c1N.
What is the InChIKey of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is XIMBWIKYVNCTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-17(3)13(18)8(2)16-9-5-6-10-12(11(9)14)15-7-19-10/h5-8,16H,4,14H2,1-3H3.
What are the key properties of 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).