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

C9H16ClN3OS — CID 120899572

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(CO)C2)s1
InChIInChI=1S/C9H15N3OS.ClH/c10-9-11-3-8(14-9)5-12-2-1-7(4-12)6-13;/h3,7,13H,1-2,4-6H2,(H2,10,11);1H
InChIKeyVTRIAORFVNHRBT-UHFFFAOYSA-N
MW249.77 g/mol
LogP0.96
Rot. Bonds3

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

[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 120899572) has the molecular formula C9H16ClN3OS and a molecular weight of 249.77 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID120899572
Molecular FormulaC9H16ClN3OS
Molecular Weight249.77 g/mol
Exact Mass249.07
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(CO)C2)s1
InChIInChI=1S/C9H15N3OS.ClH/c10-9-11-3-8(14-9)5-12-2-1-7(4-12)6-13;/h3,7,13H,1-2,4-6H2,(H2,10,11);1H
InChIKeyVTRIAORFVNHRBT-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904133
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride (CID 120899572) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride is Cl.Nc1ncc(CN2CCC(CO)C2)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is VTRIAORFVNHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.ClH/c10-9-11-3-8(14-9)5-12-2-1-7(4-12)6-13;/h3,7,13H,1-2,4-6H2,(H2,10,11);1H.
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 249.77 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 120899572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).