2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide

C14H19N3OS — CID 79143008

IUPAC2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H19N3OS/c1-4-7-15-13(18)10(3)16-14-17-11-6-5-9(2)8-12(11)19-14/h5-6,8,10H,4,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDZORFSZZLDVTLD-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.93
Rot. Bonds5

About 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide

2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 79143008) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
PubChem CID79143008
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H19N3OS/c1-4-7-15-13(18)10(3)16-14-17-11-6-5-9(2)8-12(11)19-14/h5-6,8,10H,4,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDZORFSZZLDVTLD-UHFFFAOYSA-N
XLogP2.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79872914
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-methylpentanoate
CID 2357128
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide (CID 79143008) is 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is DZORFSZZLDVTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-7-15-13(18)10(3)16-14-17-11-6-5-9(2)8-12(11)19-14/h5-6,8,10H,4,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 79143008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).