[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol

C7H14N2OS — CID 173161125

IUPAC[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol
SMILESCC1=CSC(CO)N1N(C)C
InChIInChI=1S/C7H14N2OS/c1-6-5-11-7(4-10)9(6)8(2)3/h5,7,10H,4H2,1-3H3
InChIKeySXAPZIOVZITQFX-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.69
Rot. Bonds2

About [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol

[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol (PubChem CID 173161125) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol
PubChem CID173161125
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol
SMILESCC1=CSC(CO)N1N(C)C
InChIInChI=1S/C7H14N2OS/c1-6-5-11-7(4-10)9(6)8(2)3/h5,7,10H,4H2,1-3H3
InChIKeySXAPZIOVZITQFX-UHFFFAOYSA-N
XLogP0.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol?
The IUPAC name of [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol (CID 173161125) is [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol is CC1=CSC(CO)N1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol?
The InChIKey is SXAPZIOVZITQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6-5-11-7(4-10)9(6)8(2)3/h5,7,10H,4H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol?
[3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol has a molecular weight of 174.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methyl-2H-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 173161125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).