2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride

C6H11ClN2OS — CID 22747843

IUPAC2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cncs1
InChIInChI=1S/C6H10N2OS.ClH/c7-5(3-9)1-6-2-8-4-10-6;/h2,4-5,9H,1,3,7H2;1H
InChIKeyYDKZARPNSFPAFX-UHFFFAOYSA-N
MW194.69 g/mol
LogP0.43
Rot. Bonds3

About 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride

2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride (PubChem CID 22747843) has the molecular formula C6H11ClN2OS and a molecular weight of 194.69 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
PubChem CID22747843
Molecular FormulaC6H11ClN2OS
Molecular Weight194.69 g/mol
Exact Mass194.03
IUPAC Name2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cncs1
InChIInChI=1S/C6H10N2OS.ClH/c7-5(3-9)1-6-2-8-4-10-6;/h2,4-5,9H,1,3,7H2;1H
InChIKeyYDKZARPNSFPAFX-UHFFFAOYSA-N
XLogP0.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030739
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 102927931
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642897
2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645256
(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
CID 58603986

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride (CID 22747843) is 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cncs1.
What is the InChIKey of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is YDKZARPNSFPAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.ClH/c7-5(3-9)1-6-2-8-4-10-6;/h2,4-5,9H,1,3,7H2;1H.
What are the key properties of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride?
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 194.69 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 22747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).