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

C8H15NOS — CID 91803400

IUPAC2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
SMILESCC1=CSCN1CC(C)(C)O
InChIInChI=1S/C8H15NOS/c1-7-4-11-6-9(7)5-8(2,3)10/h4,10H,5-6H2,1-3H3
InChIKeyKTTKSUXHIWPDIF-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.62
Rot. Bonds2

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

2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol (PubChem CID 91803400) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
PubChem CID91803400
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
SMILESCC1=CSCN1CC(C)(C)O
InChIInChI=1S/C8H15NOS/c1-7-4-11-6-9(7)5-8(2,3)10/h4,10H,5-6H2,1-3H3
InChIKeyKTTKSUXHIWPDIF-UHFFFAOYSA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
CID 57261095
2-methyl-1-(5-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
CID 91154290
1-[4-(hydroxymethyl)-2H-1,3-thiazol-3-yl]-2-methylpropan-2-ol
CID 141718265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol (CID 91803400) is 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol is CC1=CSCN1CC(C)(C)O.
What is the InChIKey of 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The InChIKey is KTTKSUXHIWPDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7-4-11-6-9(7)5-8(2,3)10/h4,10H,5-6H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol has a molecular weight of 173.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 91803400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).