2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol

C9H16N2OS — CID 115777969

IUPAC2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCc1ncc(C(C)NC(C)CO)s1
InChIInChI=1S/C9H16N2OS/c1-6(5-12)11-7(2)9-4-10-8(3)13-9/h4,6-7,11-12H,5H2,1-3H3
InChIKeyMQMWWNBJHSFVLA-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol

2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol (PubChem CID 115777969) 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-5-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
PubChem CID115777969
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCc1ncc(C(C)NC(C)CO)s1
InChIInChI=1S/C9H16N2OS/c1-6(5-12)11-7(2)9-4-10-8(3)13-9/h4,6-7,11-12H,5H2,1-3H3
InChIKeyMQMWWNBJHSFVLA-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

3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol (CID 115777969) is 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol is Cc1ncc(C(C)NC(C)CO)s1.
What is the InChIKey of 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The InChIKey is MQMWWNBJHSFVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(5-12)11-7(2)9-4-10-8(3)13-9/h4,6-7,11-12H,5H2,1-3H3.
What are the key properties of 2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
2-[1-(2-methyl-1,3-thiazol-5-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-5-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 115777969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).