N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine

C15H21N3S — CID 79142498

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCCN1CCC(CNc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C15H21N3S/c1-3-18-7-6-12(10-18)9-16-15-17-13-5-4-11(2)8-14(13)19-15/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyWRANENOEXZALST-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.36
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142498) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142498
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCCN1CCC(CNc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C15H21N3S/c1-3-18-7-6-12(10-18)9-16-15-17-13-5-4-11(2)8-14(13)19-15/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyWRANENOEXZALST-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
7-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 60857378
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
(2-chloro-5-methylphenyl)-[(3S)-3-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 44628682
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169706
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methylbenzonitrile
CID 114016803
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142498) is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine is CCN1CCC(CNc2nc3ccc(C)cc3s2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is WRANENOEXZALST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18-7-6-12(10-18)9-16-15-17-13-5-4-11(2)8-14(13)19-15/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).