2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol

C12H22N2OS — CID 115644894

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
SMILESCCc1nc(CNC(CO)C(C)CC)cs1
InChIInChI=1S/C12H22N2OS/c1-4-9(3)11(7-15)13-6-10-8-16-12(5-2)14-10/h8-9,11,13,15H,4-7H2,1-3H3
InChIKeyIAOURQAYOZMLGP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.20
Rot. Bonds7

About 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 115644894) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
PubChem CID115644894
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
SMILESCCc1nc(CNC(CO)C(C)CC)cs1
InChIInChI=1S/C12H22N2OS/c1-4-9(3)11(7-15)13-6-10-8-16-12(5-2)14-10/h8-9,11,13,15H,4-7H2,1-3H3
InChIKeyIAOURQAYOZMLGP-UHFFFAOYSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 115659723
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentane-1,4-diamine
CID 60727317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol (CID 115644894) is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol is CCc1nc(CNC(CO)C(C)CC)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is IAOURQAYOZMLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-9(3)11(7-15)13-6-10-8-16-12(5-2)14-10/h8-9,11,13,15H,4-7H2,1-3H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol?
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 115644894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).