1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride

C7H15Cl2NOS — CID 173331337

IUPAC1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride
SMILESCC1=CSCN1CC(C)O.Cl.Cl
InChIInChI=1S/C7H13NOS.2ClH/c1-6-4-10-5-8(6)3-7(2)9;;/h4,7,9H,3,5H2,1-2H3;2*1H
InChIKeyZJYQFXUSWYKAKP-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride

1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride (PubChem CID 173331337) has the molecular formula C7H15Cl2NOS and a molecular weight of 232.18 g/mol. Its IUPAC name is 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride
PubChem CID173331337
Molecular FormulaC7H15Cl2NOS
Molecular Weight232.18 g/mol
Exact Mass231.03
IUPAC Name1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride
SMILESCC1=CSCN1CC(C)O.Cl.Cl
InChIInChI=1S/C7H13NOS.2ClH/c1-6-4-10-5-8(6)3-7(2)9;;/h4,7,9H,3,5H2,1-2H3;2*1H
InChIKeyZJYQFXUSWYKAKP-UHFFFAOYSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride (CID 173331337) is 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride is CC1=CSCN1CC(C)O.Cl.Cl.
What is the InChIKey of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride?
The InChIKey is ZJYQFXUSWYKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS.2ClH/c1-6-4-10-5-8(6)3-7(2)9;;/h4,7,9H,3,5H2,1-2H3;2*1H.
What are the key properties of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride?
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride has a molecular weight of 232.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 173331337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).