6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine

C14H21N3S — CID 65348987

IUPAC6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCCC(C)N(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C14H21N3S/c1-4-5-10(2)17(3)9-11-6-7-12-13(8-11)18-14(15)16-12/h6-8,10H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeySYXBGXOJRVHNIX-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.50
Rot. Bonds5

About 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine

6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348987) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348987
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCCC(C)N(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C14H21N3S/c1-4-5-10(2)17(3)9-11-6-7-12-13(8-11)18-14(15)16-12/h6-8,10H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeySYXBGXOJRVHNIX-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (CID 65348987) is 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is CCCC(C)N(C)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is SYXBGXOJRVHNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-5-10(2)17(3)9-11-6-7-12-13(8-11)18-14(15)16-12/h6-8,10H,4-5,9H2,1-3H3,(H2,15,16).
What are the key properties of 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).