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

C12H22N2OS — CID 115763821

IUPAC2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNCc1cscn1
InChIInChI=1S/C12H22N2OS/c1-9(2)11(15)12(3,4)7-13-5-10-6-16-8-14-10/h6,8-9,11,13,15H,5,7H2,1-4H3
InChIKeyISORSEHKFOFDRA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds6

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

2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol (PubChem CID 115763821) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
PubChem CID115763821
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNCc1cscn1
InChIInChI=1S/C12H22N2OS/c1-9(2)11(15)12(3,4)7-13-5-10-6-16-8-14-10/h6,8-9,11,13,15H,5,7H2,1-4H3
InChIKeyISORSEHKFOFDRA-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-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

2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
CID 80556664
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol
CID 126798808
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol (CID 115763821) is 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol is CC(C)C(O)C(C)(C)CNCc1cscn1.
What is the InChIKey of 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol?
The InChIKey is ISORSEHKFOFDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)11(15)12(3,4)7-13-5-10-6-16-8-14-10/h6,8-9,11,13,15H,5,7H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol?
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol has a molecular weight of 242.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol is sourced from PubChem (CID 115763821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).