(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride

C9H16ClN3S — CID 71637692

IUPAC(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1nccs1)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-7(9-11-3-5-13-9)12-4-2-8(10)6-12;/h3,5,7-8H,2,4,6,10H2,1H3;1H/t7?,8-;/m0./s1
InChIKeyYSZYFXBZGQQTNG-MTICXXPYSA-N
MW233.77 g/mol
LogP1.66
Rot. Bonds2

About (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71637692) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71637692
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC Name(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1nccs1)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-7(9-11-3-5-13-9)12-4-2-8(10)6-12;/h3,5,7-8H,2,4,6,10H2,1H3;1H/t7?,8-;/m0./s1
InChIKeyYSZYFXBZGQQTNG-MTICXXPYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 71637692) is (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1nccs1)N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is YSZYFXBZGQQTNG-MTICXXPYSA-N. The full InChI is InChI=1S/C9H15N3S.ClH/c1-7(9-11-3-5-13-9)12-4-2-8(10)6-12;/h3,5,7-8H,2,4,6,10H2,1H3;1H/t7?,8-;/m0./s1.
What are the key properties of (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 233.77 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).