3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine

C11H20N2S — CID 112645545

IUPAC3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCCCNCCC(C)Cc1cncs1
InChIInChI=1S/C11H20N2S/c1-3-5-12-6-4-10(2)7-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQEUBXAHSUREADD-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.71
Rot. Bonds7

About 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine

3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine (PubChem CID 112645545) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
PubChem CID112645545
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCCCNCCC(C)Cc1cncs1
InChIInChI=1S/C11H20N2S/c1-3-5-12-6-4-10(2)7-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQEUBXAHSUREADD-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645544
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine (CID 112645545) is 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine is CCCNCCC(C)Cc1cncs1.
What is the InChIKey of 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is QEUBXAHSUREADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-5-12-6-4-10(2)7-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine?
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 112645545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).