1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine

C8H12ClN3S — CID 103577689

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2nc(Cl)cs2)CC1N
InChIInChI=1S/C8H12ClN3S/c1-5-2-12(3-6(5)10)8-11-7(9)4-13-8/h4-6H,2-3,10H2,1H3
InChIKeyZSDDJMDEVDOIBH-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.58
Rot. Bonds1

About 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine

1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103577689) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine
PubChem CID103577689
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2nc(Cl)cs2)CC1N
InChIInChI=1S/C8H12ClN3S/c1-5-2-12(3-6(5)10)8-11-7(9)4-13-8/h4-6H,2-3,10H2,1H3
InChIKeyZSDDJMDEVDOIBH-UHFFFAOYSA-N
XLogP1.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine (CID 103577689) is 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine is CC1CN(c2nc(Cl)cs2)CC1N.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is ZSDDJMDEVDOIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-5-2-12(3-6(5)10)8-11-7(9)4-13-8/h4-6H,2-3,10H2,1H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine?
1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 217.72 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).