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

C9H16N2OS — CID 116715056

IUPAC3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(OC)C(N)Cc1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-8(12-2)7(10)6-9-11-4-5-13-9/h4-5,7-8H,3,6,10H2,1-2H3
InChIKeyVAMXMAZLMSMJMY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.44
Rot. Bonds5

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

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 116715056) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID116715056
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(OC)C(N)Cc1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-8(12-2)7(10)6-9-11-4-5-13-9/h4-5,7-8H,3,6,10H2,1-2H3
InChIKeyVAMXMAZLMSMJMY-UHFFFAOYSA-N
XLogP1.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
methyl 2-(1,3-thiazol-2-ylmethyl)butanoate
CID 79823968
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
5-ethoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105169241

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 116715056) is 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine is CCC(OC)C(N)Cc1nccs1.
What is the InChIKey of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is VAMXMAZLMSMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-8(12-2)7(10)6-9-11-4-5-13-9/h4-5,7-8H,3,6,10H2,1-2H3.
What are the key properties of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116715056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).