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

C12H22N2OS — CID 112643106

IUPAC5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCCNC(CCCOC)Cc1cncs1
InChIInChI=1S/C12H22N2OS/c1-3-6-14-11(5-4-7-15-2)8-12-9-13-10-16-12/h9-11,14H,3-8H2,1-2H3
InChIKeyCDQDINXQTYAXSC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds9

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

5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine (PubChem CID 112643106) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
PubChem CID112643106
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCCNC(CCCOC)Cc1cncs1
InChIInChI=1S/C12H22N2OS/c1-3-6-14-11(5-4-7-15-2)8-12-9-13-10-16-12/h9-11,14H,3-8H2,1-2H3
InChIKeyCDQDINXQTYAXSC-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
1-methoxy-N-propyldodecan-4-amine
CID 65091880
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine (CID 112643106) is 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine is CCCNC(CCCOC)Cc1cncs1.
What is the InChIKey of 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The InChIKey is CDQDINXQTYAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-6-14-11(5-4-7-15-2)8-12-9-13-10-16-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
5-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, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 112643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).