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

C13H24N2OS — CID 103822917

IUPAC4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1nc(C(C)NCC(O)CC(C)(C)C)cs1
InChIInChI=1S/C13H24N2OS/c1-9(12-8-17-10(2)15-12)14-7-11(16)6-13(3,4)5/h8-9,11,14,16H,6-7H2,1-5H3
InChIKeyHQCVLPBEMROJAR-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.90
Rot. Bonds5

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

4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol (PubChem CID 103822917) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
PubChem CID103822917
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
SMILESCc1nc(C(C)NCC(O)CC(C)(C)C)cs1
InChIInChI=1S/C13H24N2OS/c1-9(12-8-17-10(2)15-12)14-7-11(16)6-13(3,4)5/h8-9,11,14,16H,6-7H2,1-5H3
InChIKeyHQCVLPBEMROJAR-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol with MolForge

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Related Compounds

2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol (CID 103822917) is 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol is Cc1nc(C(C)NCC(O)CC(C)(C)C)cs1.
What is the InChIKey of 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol?
The InChIKey is HQCVLPBEMROJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(12-8-17-10(2)15-12)14-7-11(16)6-13(3,4)5/h8-9,11,14,16H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103822917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).