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

C9H16N2OS — CID 43670319

IUPAC2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
SMILESCc1nc(C(C)NC(C)CO)cs1
InChIInChI=1S/C9H16N2OS/c1-6(4-12)10-7(2)9-5-13-8(3)11-9/h5-7,10,12H,4H2,1-3H3
InChIKeyYFGKGFXEJGCJBY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.48
Rot. Bonds4

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

2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol (PubChem CID 43670319) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
PubChem CID43670319
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
SMILESCc1nc(C(C)NC(C)CO)cs1
InChIInChI=1S/C9H16N2OS/c1-6(4-12)10-7(2)9-5-13-8(3)11-9/h5-7,10,12H,4H2,1-3H3
InChIKeyYFGKGFXEJGCJBY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol (CID 43670319) is 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol is Cc1nc(C(C)NC(C)CO)cs1.
What is the InChIKey of 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol?
The InChIKey is YFGKGFXEJGCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(4-12)10-7(2)9-5-13-8(3)11-9/h5-7,10,12H,4H2,1-3H3.
What are the key properties of 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol?
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 43670319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).