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

C15H21N3S — CID 79142582

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCCN1CCCC1CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C15H21N3S/c1-3-18-8-4-5-12(18)10-16-15-17-13-7-6-11(2)9-14(13)19-15/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyWERYEOGUTWOFQW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142582) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142582
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCCN1CCCC1CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C15H21N3S/c1-3-18-8-4-5-12(18)10-16-15-17-13-7-6-11(2)9-14(13)19-15/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyWERYEOGUTWOFQW-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142498
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
methyl N-[(2S)-3-methyl-1-[(2S)-2-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 123153695
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966357
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142582) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine is CCN1CCCC1CNc1nc2ccc(C)cc2s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is WERYEOGUTWOFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18-8-4-5-12(18)10-16-15-17-13-7-6-11(2)9-14(13)19-15/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).