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

C8H12ClN3S — CID 71640351

IUPAC(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESClc1ncc(CN[C@H]2CCNC2)s1
InChIInChI=1S/C8H12ClN3S/c9-8-12-5-7(13-8)4-11-6-1-2-10-3-6/h5-6,10-11H,1-4H2/t6-/m0/s1
InChIKeyJJWWLDVFHIWURB-LURJTMIESA-N
MW217.72 g/mol
LogP1.25
Rot. Bonds3

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

(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 71640351) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID71640351
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESClc1ncc(CN[C@H]2CCNC2)s1
InChIInChI=1S/C8H12ClN3S/c9-8-12-5-7(13-8)4-11-6-1-2-10-3-6/h5-6,10-11H,1-4H2/t6-/m0/s1
InChIKeyJJWWLDVFHIWURB-LURJTMIESA-N
XLogP1.25
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine
CID 130870175
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860
(3R)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71304599
2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 71640491
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 79741576
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636752
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 97163916
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (CID 71640351) is (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is Clc1ncc(CN[C@H]2CCNC2)s1.
What is the InChIKey of (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is JJWWLDVFHIWURB-LURJTMIESA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-8-12-5-7(13-8)4-11-6-1-2-10-3-6/h5-6,10-11H,1-4H2/t6-/m0/s1.
What are the key properties of (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 217.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71640351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).