[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride

C9H16ClN3OS — CID 120899176

IUPAC[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC[C@H]2CO)s1
InChIInChI=1S/C9H15N3OS.ClH/c10-9-11-4-8(14-9)5-12-3-1-2-7(12)6-13;/h4,7,13H,1-3,5-6H2,(H2,10,11);1H/t7-;/m0./s1
InChIKeySXFPJDXFUUWHQB-FJXQXJEOSA-N
MW249.77 g/mol
LogP1.10
Rot. Bonds3

About [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride

[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 120899176) has the molecular formula C9H16ClN3OS and a molecular weight of 249.77 g/mol. Its IUPAC name is [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID120899176
Molecular FormulaC9H16ClN3OS
Molecular Weight249.77 g/mol
Exact Mass249.07
IUPAC Name[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC[C@H]2CO)s1
InChIInChI=1S/C9H15N3OS.ClH/c10-9-11-4-8(14-9)5-12-3-1-2-7(12)6-13;/h4,7,13H,1-3,5-6H2,(H2,10,11);1H/t7-;/m0./s1
InChIKeySXFPJDXFUUWHQB-FJXQXJEOSA-N
XLogP1.10
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899075
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901371
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
[1-[(5-aminopyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103056039
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 120899176) is [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is Cl.Nc1ncc(CN2CCC[C@H]2CO)s1.
What is the InChIKey of [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is SXFPJDXFUUWHQB-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H15N3OS.ClH/c10-9-11-4-8(14-9)5-12-3-1-2-7(12)6-13;/h4,7,13H,1-3,5-6H2,(H2,10,11);1H/t7-;/m0./s1.
What are the key properties of [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 249.77 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 120899176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).