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

C10H18N2OS — CID 115777954

IUPAC3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCc1ncc(C(C)NC(C)CCO)s1
InChIInChI=1S/C10H18N2OS/c1-7(4-5-13)12-8(2)10-6-11-9(3)14-10/h6-8,12-13H,4-5H2,1-3H3
InChIKeyVABFZKHJVCPLKJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.87
Rot. Bonds5

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

3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (PubChem CID 115777954) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
PubChem CID115777954
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCc1ncc(C(C)NC(C)CCO)s1
InChIInChI=1S/C10H18N2OS/c1-7(4-5-13)12-8(2)10-6-11-9(3)14-10/h6-8,12-13H,4-5H2,1-3H3
InChIKeyVABFZKHJVCPLKJ-UHFFFAOYSA-N
XLogP1.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (CID 115777954) is 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is Cc1ncc(C(C)NC(C)CCO)s1.
What is the InChIKey of 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The InChIKey is VABFZKHJVCPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(4-5-13)12-8(2)10-6-11-9(3)14-10/h6-8,12-13H,4-5H2,1-3H3.
What are the key properties of 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115777954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).