2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride

C12H17Cl2N3OS — CID 173205983

IUPAC2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride
SMILESCc1nc(C(N)c2cccnc2)sc1CCO.Cl.Cl
InChIInChI=1S/C12H15N3OS.2ClH/c1-8-10(4-6-16)17-12(15-8)11(13)9-3-2-5-14-7-9;;/h2-3,5,7,11,16H,4,6,13H2,1H3;2*1H
InChIKeyMGVZRUNXARENPO-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride

2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride (PubChem CID 173205983) has the molecular formula C12H17Cl2N3OS and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride
PubChem CID173205983
Molecular FormulaC12H17Cl2N3OS
Molecular Weight322.26 g/mol
Exact Mass321.05
IUPAC Name2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride
SMILESCc1nc(C(N)c2cccnc2)sc1CCO.Cl.Cl
InChIInChI=1S/C12H15N3OS.2ClH/c1-8-10(4-6-16)17-12(15-8)11(13)9-3-2-5-14-7-9;;/h2-3,5,7,11,16H,4,6,13H2,1H3;2*1H
InChIKeyMGVZRUNXARENPO-UHFFFAOYSA-N
XLogP2.27
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride with MolForge

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Related Compounds

(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
2-amino-2-pyridin-3-ylethanol
CID 2734590
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
[4-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanamine
CID 66970704
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride (CID 173205983) is 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride is Cc1nc(C(N)c2cccnc2)sc1CCO.Cl.Cl.
What is the InChIKey of 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The InChIKey is MGVZRUNXARENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS.2ClH/c1-8-10(4-6-16)17-12(15-8)11(13)9-3-2-5-14-7-9;;/h2-3,5,7,11,16H,4,6,13H2,1H3;2*1H.
What are the key properties of 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride?
2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride has a molecular weight of 322.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[amino(pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol;dihydrochloride is sourced from PubChem (CID 173205983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).