[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine

C10H17N3S — CID 115486083

IUPAC[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cscn1
InChIInChI=1S/C10H17N3S/c1-8-2-9(3-11)4-13(8)5-10-6-14-7-12-10/h6-9H,2-5,11H2,1H3
InChIKeyLCZPYYHDTHCIBP-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.31
Rot. Bonds3

About [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine

[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 115486083) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID115486083
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cscn1
InChIInChI=1S/C10H17N3S/c1-8-2-9(3-11)4-13(8)5-10-6-14-7-12-10/h6-9H,2-5,11H2,1H3
InChIKeyLCZPYYHDTHCIBP-UHFFFAOYSA-N
XLogP1.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine (CID 115486083) is [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1cscn1.
What is the InChIKey of [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is LCZPYYHDTHCIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-2-9(3-11)4-13(8)5-10-6-14-7-12-10/h6-9H,2-5,11H2,1H3.
What are the key properties of [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine?
[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).