2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol

C9H16N2OS — CID 138048390

IUPAC2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-7(8-4-5-13-11-8)10-6-9(2,3)12/h4-5,7,10,12H,6H2,1-3H3
InChIKeyNNADXAVYVITOGW-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.56
Rot. Bonds4

About 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol

2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol (PubChem CID 138048390) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol
PubChem CID138048390
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-7(8-4-5-13-11-8)10-6-9(2,3)12/h4-5,7,10,12H,6H2,1-3H3
InChIKeyNNADXAVYVITOGW-UHFFFAOYSA-N
XLogP1.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol (CID 138048390) is 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol is CC(NCC(C)(C)O)c1ccsn1.
What is the InChIKey of 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is NNADXAVYVITOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(8-4-5-13-11-8)10-6-9(2,3)12/h4-5,7,10,12H,6H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol?
2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 138048390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).