4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine

C12H22N2OS — CID 115889738

IUPAC4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
SMILESCOCCC(C)NCCCCc1nccs1
InChIInChI=1S/C12H22N2OS/c1-11(6-9-15-2)13-7-4-3-5-12-14-8-10-16-12/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyHLVGHILPPHMKEF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds9

About 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine

4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine (PubChem CID 115889738) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
PubChem CID115889738
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
SMILESCOCCC(C)NCCCCc1nccs1
InChIInChI=1S/C12H22N2OS/c1-11(6-9-15-2)13-7-4-3-5-12-14-8-10-16-12/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyHLVGHILPPHMKEF-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

N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104582125
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
CID 115721340
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115716293
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 49314742
4-methoxy-2-[3-(1,3-thiazol-2-yl)propanoylamino]butanoic acid
CID 120702808
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine (CID 115889738) is 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine is COCCC(C)NCCCCc1nccs1.
What is the InChIKey of 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine?
The InChIKey is HLVGHILPPHMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(6-9-15-2)13-7-4-3-5-12-14-8-10-16-12/h8,10-11,13H,3-7,9H2,1-2H3.
What are the key properties of 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine?
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-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 4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine is sourced from PubChem (CID 115889738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).