4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine

C15H19N3S — CID 120909531

IUPAC4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ncc(-c3ccccc3)s2)CC1N
InChIInChI=1S/C15H19N3S/c1-11-8-18(9-13(11)16)10-15-17-7-14(19-15)12-5-3-2-4-6-12/h2-7,11,13H,8-10,16H2,1H3
InChIKeyDIXPJOYVCPPRDY-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.59
Rot. Bonds3

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

4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 120909531) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID120909531
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ncc(-c3ccccc3)s2)CC1N
InChIInChI=1S/C15H19N3S/c1-11-8-18(9-13(11)16)10-15-17-7-14(19-15)12-5-3-2-4-6-12/h2-7,11,13H,8-10,16H2,1H3
InChIKeyDIXPJOYVCPPRDY-UHFFFAOYSA-N
XLogP2.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (CID 120909531) is 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is CC1CN(Cc2ncc(-c3ccccc3)s2)CC1N.
What is the InChIKey of 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is DIXPJOYVCPPRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-8-18(9-13(11)16)10-15-17-7-14(19-15)12-5-3-2-4-6-12/h2-7,11,13H,8-10,16H2,1H3.
What are the key properties of 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 273.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120909531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).