4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine

C11H20N2OS — CID 61285626

IUPAC4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(7-11(2,3)14-4)13-8-10-12-5-6-15-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyTYCRZWNSFSRJEZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.44
Rot. Bonds6

About 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine

4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine (PubChem CID 61285626) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
PubChem CID61285626
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(7-11(2,3)14-4)13-8-10-12-5-6-15-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyTYCRZWNSFSRJEZ-UHFFFAOYSA-N
XLogP2.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,3-thiazol-2-ylmethyl)butan-2-amine
CID 83186501
N-(1,3-thiazol-2-ylmethyl)pent-4-yn-2-amine
CID 115660270
N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 64531008
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-(1,3-thiazol-2-ylmethylamino)butanamide
CID 70942572
N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 131951888
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine (CID 61285626) is 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine is COC(C)(C)CC(C)NCc1nccs1.
What is the InChIKey of 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The InChIKey is TYCRZWNSFSRJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(7-11(2,3)14-4)13-8-10-12-5-6-15-10/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 61285626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).