4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine

C16H24N2S — CID 102906850

IUPAC4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC(C(C)C)C(C)C)nc12
InChIInChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-15-12(5)7-6-8-14(15)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18)
InChIKeyCDGLXXTWGRIQDY-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.94
Rot. Bonds5

About 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 102906850) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
PubChem CID102906850
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC(C(C)C)C(C)C)nc12
InChIInChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-15-12(5)7-6-8-14(15)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18)
InChIKeyCDGLXXTWGRIQDY-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146599
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79146503
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine (CID 102906850) is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCC(C(C)C)C(C)C)nc12.
What is the InChIKey of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is CDGLXXTWGRIQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-15-12(5)7-6-8-14(15)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18).
What are the key properties of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 276.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 102906850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).