N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H19N3S — CID 119039424

IUPACN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN1CCC(CN(C)Cc2cncs2)C1
InChIInChI=1S/C11H19N3S/c1-13-4-3-10(6-13)7-14(2)8-11-5-12-9-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyOFLNOLQYBKDGKM-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 119039424) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID119039424
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN1CCC(CN(C)Cc2cncs2)C1
InChIInChI=1S/C11H19N3S/c1-13-4-3-10(6-13)7-14(2)8-11-5-12-9-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyOFLNOLQYBKDGKM-UHFFFAOYSA-N
XLogP1.53
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 119039424) is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is CN1CCC(CN(C)Cc2cncs2)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is OFLNOLQYBKDGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13-4-3-10(6-13)7-14(2)8-11-5-12-9-15-11/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 119039424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).