4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol

C12H22N2OS — CID 104925969

IUPAC4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1cscn1
InChIInChI=1S/C12H22N2OS/c1-9(10-7-16-8-13-10)14-11(5-6-15)12(2,3)4/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyGOJAICIETLWTCZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.59
Rot. Bonds5

About 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol

4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol (PubChem CID 104925969) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
PubChem CID104925969
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1cscn1
InChIInChI=1S/C12H22N2OS/c1-9(10-7-16-8-13-10)14-11(5-6-15)12(2,3)4/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyGOJAICIETLWTCZ-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115879478
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 107248411
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115879356
N-tert-butylsulfanyl-1-(1,3-thiazol-4-yl)ethanamine
CID 155231694
3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol (CID 104925969) is 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol is CC(NC(CCO)C(C)(C)C)c1cscn1.
What is the InChIKey of 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
The InChIKey is GOJAICIETLWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(10-7-16-8-13-10)14-11(5-6-15)12(2,3)4/h7-9,11,14-15H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol?
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 104925969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).