N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine

C16H23N3S — CID 141142591

IUPACN-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N1CCC(CN(C)c2nc3ccccc3s2)C1
InChIInChI=1S/C16H23N3S/c1-12(2)19-9-8-13(11-19)10-18(3)16-17-14-6-4-5-7-15(14)20-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMFJKSLMSSFXLDP-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.46
Rot. Bonds4

About N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine

N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 141142591) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID141142591
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N1CCC(CN(C)c2nc3ccccc3s2)C1
InChIInChI=1S/C16H23N3S/c1-12(2)19-9-8-13(11-19)10-18(3)16-17-14-6-4-5-7-15(14)20-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMFJKSLMSSFXLDP-UHFFFAOYSA-N
XLogP3.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine (CID 141142591) is N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine is CC(C)N1CCC(CN(C)c2nc3ccccc3s2)C1.
What is the InChIKey of N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is MFJKSLMSSFXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(2)19-9-8-13(11-19)10-18(3)16-17-14-6-4-5-7-15(14)20-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 141142591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).