6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine

C14H19N3S — CID 79142258

IUPAC6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCN3CCCC3)sc2c1
InChIInChI=1S/C14H19N3S/c1-11-4-5-12-13(10-11)18-14(16-12)15-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyUTANFTLVROHWII-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.11
Rot. Bonds4

About 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine

6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 79142258) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID79142258
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCN3CCCC3)sc2c1
InChIInChI=1S/C14H19N3S/c1-11-4-5-12-13(10-11)18-14(16-12)15-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)
InChIKeyUTANFTLVROHWII-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526070
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
N-(3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 60666991
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine (CID 79142258) is 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCCN3CCCC3)sc2c1.
What is the InChIKey of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is UTANFTLVROHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-4-5-12-13(10-11)18-14(16-12)15-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,16).
What are the key properties of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).