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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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).