N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine

C14H16N2S — CID 66355508

IUPACN-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine
SMILESc1ccc2c(NC(C3CC3)C3CC3)snc2c1
InChIInChI=1S/C14H16N2S/c1-2-4-12-11(3-1)14(17-16-12)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2
InChIKeyGCUJRAXQCLEADI-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.90
Rot. Bonds4

About N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine

N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine (PubChem CID 66355508) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine
PubChem CID66355508
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine
SMILESc1ccc2c(NC(C3CC3)C3CC3)snc2c1
InChIInChI=1S/C14H16N2S/c1-2-4-12-11(3-1)14(17-16-12)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2
InChIKeyGCUJRAXQCLEADI-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
CID 66354450
2-N-(2,1-benzothiazol-3-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 66355507
N-(1-methoxy-3-methylbutan-2-yl)-2,1-benzothiazol-3-amine
CID 66329031
N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
CID 66353606
3-N-(2,1-benzothiazol-3-yl)-4-methylpentane-1,3-diamine
CID 106357564
N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine
CID 66355084
N-(oxolan-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 63373288
N-[2-(4-methylcyclohexyl)ethyl]-2,1-benzothiazol-3-amine
CID 66353612
N-hex-1-yn-3-yl-2,1-benzothiazol-3-amine
CID 106231779
N-(2-chloroethyl)-2,1-benzothiazol-3-amine
CID 66354488
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
ethyl 2-(2,1-benzothiazol-3-ylamino)propanoate
CID 66355714

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine (CID 66355508) is N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine is c1ccc2c(NC(C3CC3)C3CC3)snc2c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine?
The InChIKey is GCUJRAXQCLEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-4-12-11(3-1)14(17-16-12)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2.
What are the key properties of N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine?
N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine has a molecular weight of 244.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66355508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).