2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide

C14H19N3OS — CID 103809416

IUPAC2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H19N3OS/c1-9(2)5-10(7-15)14(18)17-11-3-4-12-13(6-11)19-8-16-12/h3-4,6,8-10H,5,7,15H2,1-2H3,(H,17,18)
InChIKeyVDTGYRWJRZGNNJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.86
Rot. Bonds5

About 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide

2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide (PubChem CID 103809416) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
PubChem CID103809416
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H19N3OS/c1-9(2)5-10(7-15)14(18)17-11-3-4-12-13(6-11)19-8-16-12/h3-4,6,8-10H,5,7,15H2,1-2H3,(H,17,18)
InChIKeyVDTGYRWJRZGNNJ-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 81266386
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
5-[[2-(aminomethyl)-4-methylpentanoyl]amino]-2-bromobenzoic acid
CID 115296437
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
N-(1,3-benzothiazol-6-yl)-3-(3,4-dihydroxyphenyl)-2-methylpropanamide
CID 112525772

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide (CID 103809416) is 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide is CC(C)CC(CN)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide?
The InChIKey is VDTGYRWJRZGNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)5-10(7-15)14(18)17-11-3-4-12-13(6-11)19-8-16-12/h3-4,6,8-10H,5,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide?
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide has a molecular weight of 277.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide is sourced from PubChem (CID 103809416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).