4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol

C11H20N2OS — CID 103897626

IUPAC4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCc1nccs1
InChIInChI=1S/C11H20N2OS/c1-11(2,4-3-6-14)9-12-8-10-13-5-7-15-10/h5,7,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyRCNLUDUHGOPPME-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.03
Rot. Bonds7

About 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol

4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol (PubChem CID 103897626) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
PubChem CID103897626
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCc1nccs1
InChIInChI=1S/C11H20N2OS/c1-11(2,4-3-6-14)9-12-8-10-13-5-7-15-10/h5,7,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyRCNLUDUHGOPPME-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Propyl-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72878293
2-(Hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol
CID 67745314
4-Piperazin-1-yl-4-(1,3-thiazol-2-yl)butan-1-ol
CID 68381739
5-Amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 70041551
ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 91094828
I(3)-Methyl-2-thiazolebutanol
CID 14107395
(1-(1-(Thiazol-2-yl)ethyl)piperidin-3-yl)methanol
CID 45787179
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
2-Methyl-3-(1,3-thiazol-2-ylmethylamino)propan-1-ol
CID 63000611
1-(oxan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001699
4-Methyl-2-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 63001814
[1-(1,3-Thiazol-2-ylmethylamino)cyclopentyl]methanol
CID 63656226

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol (CID 103897626) is 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol is CC(C)(CCCO)CNCc1nccs1.
What is the InChIKey of 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The InChIKey is RCNLUDUHGOPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2,4-3-6-14)9-12-8-10-13-5-7-15-10/h5,7,12,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 103897626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).