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

C10H18N2OS — CID 165485806

IUPAC1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
SMILESCCCCC(O)c1nc(CCN)cs1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-9(13)10-12-8(5-6-11)7-14-10/h7,9,13H,2-6,11H2,1H3
InChIKeyOOSCCPDBVZCHPA-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.87
Rot. Bonds6

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

1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol (PubChem CID 165485806) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
PubChem CID165485806
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
SMILESCCCCC(O)c1nc(CCN)cs1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-9(13)10-12-8(5-6-11)7-14-10/h7,9,13H,2-6,11H2,1H3
InChIKeyOOSCCPDBVZCHPA-UHFFFAOYSA-N
XLogP1.87
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol?
The IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol (CID 165485806) is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol is CCCCC(O)c1nc(CCN)cs1.
What is the InChIKey of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol?
The InChIKey is OOSCCPDBVZCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-3-4-9(13)10-12-8(5-6-11)7-14-10/h7,9,13H,2-6,11H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol?
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol is sourced from PubChem (CID 165485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).