2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine

C17H26N2S — CID 104631810

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1nc2ccccc2s1
InChIInChI=1S/C17H26N2S/c1-12(2)13(11-18-17(3,4)5)10-16-19-14-8-6-7-9-15(14)20-16/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyBUMRQUDRPHMZFK-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.50
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine

2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 104631810) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
PubChem CID104631810
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1nc2ccccc2s1
InChIInChI=1S/C17H26N2S/c1-12(2)13(11-18-17(3,4)5)10-16-19-14-8-6-7-9-15(14)20-16/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyBUMRQUDRPHMZFK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 104631808
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273449
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
2-(2-chloro-4-methylpentyl)-1,3-benzothiazole
CID 66461954
1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79819432
1-(1,3-benzothiazol-2-yl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713364

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine (CID 104631810) is 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is BUMRQUDRPHMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-12(2)13(11-18-17(3,4)5)10-16-19-14-8-6-7-9-15(14)20-16/h6-9,12-13,18H,10-11H2,1-5H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine?
2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 104631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).