3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine

C10H18N2OS — CID 116757294

IUPAC3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(C)(OC)C(N)Cc1nccs1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,13-3)8(11)7-9-12-5-6-14-9/h5-6,8H,4,7,11H2,1-3H3
InChIKeyWDTWPSOAJOYFAF-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.83
Rot. Bonds5

About 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine

3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 116757294) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID116757294
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(C)(OC)C(N)Cc1nccs1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,13-3)8(11)7-9-12-5-6-14-9/h5-6,8H,4,7,11H2,1-3H3
InChIKeyWDTWPSOAJOYFAF-UHFFFAOYSA-N
XLogP1.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824612
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283
N,N-diethyl-2-hydrazinyl-3-methyl-1-(1,3-thiazol-2-yl)pentan-3-amine
CID 105240949
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79823502
[3-ethoxy-3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105275180
[1-cyclopropyl-1-methoxy-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105272874
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
[1-tert-butylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105226562

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 116757294) is 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCC(C)(OC)C(N)Cc1nccs1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is WDTWPSOAJOYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-10(2,13-3)8(11)7-9-12-5-6-14-9/h5-6,8H,4,7,11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116757294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).