1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

C15H22N2S2 — CID 79819432

IUPAC1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S2/c1-11(2)9-18-10-12(16-3)8-15-17-13-6-4-5-7-14(13)19-15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyIEZAZICZMUVEMF-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.82
Rot. Bonds7

About 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 79819432) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID79819432
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1nc2ccccc2s1
InChIInChI=1S/C15H22N2S2/c1-11(2)9-18-10-12(16-3)8-15-17-13-6-4-5-7-14(13)19-15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyIEZAZICZMUVEMF-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
1-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105169666
1-(1,3-benzothiazol-2-yl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222019
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468
2-(2-chloro-4-methylpentyl)-1,3-benzothiazole
CID 66461954
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
CID 104631810
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
2-[2-(bromomethyl)-4-methylpentyl]-1,3-benzothiazole
CID 104632450
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 79819432) is 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is CNC(CSCC(C)C)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is IEZAZICZMUVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-11(2)9-18-10-12(16-3)8-15-17-13-6-4-5-7-14(13)19-15/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 294.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 79819432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).