3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine

C12H22N2OS — CID 116716182

IUPAC3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCCNC(Cc1cncs1)C(CC)OC
InChIInChI=1S/C12H22N2OS/c1-4-6-14-11(12(5-2)15-3)7-10-8-13-9-16-10/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyNSHOYDNGRWKZHB-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds8

About 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine

3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine (PubChem CID 116716182) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
PubChem CID116716182
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCCNC(Cc1cncs1)C(CC)OC
InChIInChI=1S/C12H22N2OS/c1-4-6-14-11(12(5-2)15-3)7-10-8-13-9-16-10/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyNSHOYDNGRWKZHB-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773875
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
[3-methoxy-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105246868
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116722677
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine (CID 116716182) is 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine is CCCNC(Cc1cncs1)C(CC)OC.
What is the InChIKey of 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The InChIKey is NSHOYDNGRWKZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-6-14-11(12(5-2)15-3)7-10-8-13-9-16-10/h8-9,11-12,14H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 116716182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).