5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol

C10H18N2OS — CID 62228232

IUPAC5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cscn1
InChIInChI=1S/C10H18N2OS/c1-12(5-3-2-4-6-13)7-10-8-14-9-11-10/h8-9,13H,2-7H2,1H3
InChIKeyPTAKOWNHGNHLHN-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.74
Rot. Bonds7

About 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol

5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol (PubChem CID 62228232) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
PubChem CID62228232
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cscn1
InChIInChI=1S/C10H18N2OS/c1-12(5-3-2-4-6-13)7-10-8-14-9-11-10/h8-9,13H,2-7H2,1H3
InChIKeyPTAKOWNHGNHLHN-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
CID 105344114
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
2,2-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 65258378
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55012448
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol (CID 62228232) is 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol is CN(CCCCCO)Cc1cscn1.
What is the InChIKey of 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol?
The InChIKey is PTAKOWNHGNHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(5-3-2-4-6-13)7-10-8-14-9-11-10/h8-9,13H,2-7H2,1H3.
What are the key properties of 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol?
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol is sourced from PubChem (CID 62228232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).