2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol

C8H14N2OS — CID 59414219

IUPAC2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCNCc1csc(C(C)(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-8(2,11)7-10-6(4-9-3)5-12-7/h5,9,11H,4H2,1-3H3
InChIKeyQXDSMGBSRJCUTJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol

2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 59414219) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID59414219
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCNCc1csc(C(C)(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-8(2,11)7-10-6(4-9-3)5-12-7/h5,9,11H,4H2,1-3H3
InChIKeyQXDSMGBSRJCUTJ-UHFFFAOYSA-N
XLogP1.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol (CID 59414219) is 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol is CNCc1csc(C(C)(C)O)n1.
What is the InChIKey of 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is QXDSMGBSRJCUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(2,11)7-10-6(4-9-3)5-12-7/h5,9,11H,4H2,1-3H3.
What are the key properties of 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 59414219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).