3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol

C12H22N2OS — CID 104578211

IUPAC3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
SMILESCCC(NCC(O)(CC)CC)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-10(11-13-7-8-16-11)14-9-12(15,5-2)6-3/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyMRFZFDJHWKBIBP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.73
Rot. Bonds7

About 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol

3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol (PubChem CID 104578211) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
PubChem CID104578211
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
SMILESCCC(NCC(O)(CC)CC)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-10(11-13-7-8-16-11)14-9-12(15,5-2)6-3/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyMRFZFDJHWKBIBP-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
CID 79167749
4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953541
1-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]cyclopentan-1-amine
CID 64682277
(Z)-2-ethyl-4-[1-(1,3-thiazol-2-yl)propylamino]but-2-enoic acid
CID 103253927
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
4-[2-[1-(1,3-thiazol-2-yl)propylamino]ethoxy]benzoic acid
CID 103253905
tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
CID 107445705
2-[5-[[1-(1,3-thiazol-2-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82894965

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol (CID 104578211) is 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol is CCC(NCC(O)(CC)CC)c1nccs1.
What is the InChIKey of 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol?
The InChIKey is MRFZFDJHWKBIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-10(11-13-7-8-16-11)14-9-12(15,5-2)6-3/h7-8,10,14-15H,4-6,9H2,1-3H3.
What are the key properties of 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol?
3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol has a molecular weight of 242.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol is sourced from PubChem (CID 104578211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).