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

C11H20N2OS — CID 106506478

IUPAC2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1nc(C)cs1
InChIInChI=1S/C11H20N2OS/c1-3-4-11(7-12,8-14)5-10-13-9(2)6-15-10/h6,14H,3-5,7-8,12H2,1-2H3
InChIKeyFXJJXAIACSBGAF-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.73
Rot. Bonds6

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

2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol (PubChem CID 106506478) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
PubChem CID106506478
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1nc(C)cs1
InChIInChI=1S/C11H20N2OS/c1-3-4-11(7-12,8-14)5-10-13-9(2)6-15-10/h6,14H,3-5,7-8,12H2,1-2H3
InChIKeyFXJJXAIACSBGAF-UHFFFAOYSA-N
XLogP1.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanoate
CID 106488186
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-ethyl-4-methyl-1,3-thiazole
CID 27440
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656324
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
ethyl 2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-enoate
CID 102639208
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
ethyl 2-(aminomethyl)-3-(4-methyl-1,3-thiazol-2-yl)-2-phenylpropanoate
CID 106509533
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol (CID 106506478) is 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol is CCCC(CN)(CO)Cc1nc(C)cs1.
What is the InChIKey of 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol?
The InChIKey is FXJJXAIACSBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-4-11(7-12,8-14)5-10-13-9(2)6-15-10/h6,14H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol?
2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol is sourced from PubChem (CID 106506478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).