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

C8H12ClN3S — CID 104973704

IUPAC1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C8H12ClN3S/c9-7-3-11-8(13-7)5-12-2-1-6(10)4-12/h3,6H,1-2,4-5,10H2
InChIKeyRGBOKJQOAWCPBF-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.33
Rot. Bonds2

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

1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 104973704) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID104973704
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C8H12ClN3S/c9-7-3-11-8(13-7)5-12-2-1-6(10)4-12/h3,6H,1-2,4-5,10H2
InChIKeyRGBOKJQOAWCPBF-UHFFFAOYSA-N
XLogP1.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (CID 104973704) is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2ncc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RGBOKJQOAWCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-7-3-11-8(13-7)5-12-2-1-6(10)4-12/h3,6H,1-2,4-5,10H2.
What are the key properties of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 217.72 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 104973704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).