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

C8H14N2OS — CID 115087624

IUPAC3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESNCCc1csc(CCCO)n1
InChIInChI=1S/C8H14N2OS/c9-4-3-7-6-12-8(10-7)2-1-5-11/h6,11H,1-5,9H2
InChIKeyJAFZASWUTXZBFJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.57
Rot. Bonds5

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

3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 115087624) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID115087624
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESNCCc1csc(CCCO)n1
InChIInChI=1S/C8H14N2OS/c9-4-3-7-6-12-8(10-7)2-1-5-11/h6,11H,1-5,9H2
InChIKeyJAFZASWUTXZBFJ-UHFFFAOYSA-N
XLogP0.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde
CID 115087613
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol (CID 115087624) is 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol is NCCc1csc(CCCO)n1.
What is the InChIKey of 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is JAFZASWUTXZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c9-4-3-7-6-12-8(10-7)2-1-5-11/h6,11H,1-5,9H2.
What are the key properties of 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol?
3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 115087624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).