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

C9H16N2OS — CID 62070996

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCCc1nc(CNC(C)CO)cs1
InChIInChI=1S/C9H16N2OS/c1-3-9-11-8(6-13-9)4-10-7(2)5-12/h6-7,10,12H,3-5H2,1-2H3
InChIKeyFVHULGMFHJRWMD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.18
Rot. Bonds5

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

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol (PubChem CID 62070996) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
PubChem CID62070996
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCCc1nc(CNC(C)CO)cs1
InChIInChI=1S/C9H16N2OS/c1-3-9-11-8(6-13-9)4-10-7(2)5-12/h6-7,10,12H,3-5H2,1-2H3
InChIKeyFVHULGMFHJRWMD-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentane-1,4-diamine
CID 60727317
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 115659723
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol (CID 62070996) is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol is CCc1nc(CNC(C)CO)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The InChIKey is FVHULGMFHJRWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-9-11-8(6-13-9)4-10-7(2)5-12/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 62070996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).