3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol

C12H22N2OS — CID 115725802

IUPAC3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCc1ncsc1C(C)NCC(C)(C)CCO
InChIInChI=1S/C12H22N2OS/c1-9(11-10(2)14-8-16-11)13-7-12(3,4)5-6-15/h8-9,13,15H,5-7H2,1-4H3
InChIKeyXDBRWOUNEVOTEY-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds6

About 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol

3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (PubChem CID 115725802) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
PubChem CID115725802
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCc1ncsc1C(C)NCC(C)(C)CCO
InChIInChI=1S/C12H22N2OS/c1-9(11-10(2)14-8-16-11)13-7-12(3,4)5-6-15/h8-9,13,15H,5-7H2,1-4H3
InChIKeyXDBRWOUNEVOTEY-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 79558911
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (CID 115725802) is 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is Cc1ncsc1C(C)NCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The InChIKey is XDBRWOUNEVOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(11-10(2)14-8-16-11)13-7-12(3,4)5-6-15/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).