[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

C13H23N3S — CID 120843071

IUPAC[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1csc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3
InChIKeyBCHAIQJGDZYYPN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.26
Rot. Bonds5

About [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120843071) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120843071
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1csc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3
InChIKeyBCHAIQJGDZYYPN-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120843071) is [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is CCCc1csc(CN2CC(CN)CC2C)n1.
What is the InChIKey of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is BCHAIQJGDZYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3.
What are the key properties of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120843071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).