2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride

C14H23Cl2N3OS — CID 173206156

IUPAC2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride
SMILESCC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15;;/h4-5,8,18H,6-7,9,15H2,1-3H3;2*1H
InChIKeySXFOFHFYKJKSIH-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride

2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride (PubChem CID 173206156) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride
PubChem CID173206156
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC Name2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride
SMILESCC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15;;/h4-5,8,18H,6-7,9,15H2,1-3H3;2*1H
InChIKeySXFOFHFYKJKSIH-UHFFFAOYSA-N
XLogP3.03
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride (CID 173206156) is 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride is CC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1.Cl.Cl.
What is the InChIKey of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride?
The InChIKey is SXFOFHFYKJKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15;;/h4-5,8,18H,6-7,9,15H2,1-3H3;2*1H.
What are the key properties of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride?
2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride is sourced from PubChem (CID 173206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).