1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine

C16H30N2S — CID 104996994

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1csc(C)n1)C(CCC)CCC
InChIInChI=1S/C16H30N2S/c1-5-8-14(9-6-2)16(17-10-7-3)11-15-12-19-13(4)18-15/h12,14,16-17H,5-11H2,1-4H3
InChIKeyBXZGYNXSSSQXOY-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.58
Rot. Bonds10

About 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine

1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine (PubChem CID 104996994) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
PubChem CID104996994
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1csc(C)n1)C(CCC)CCC
InChIInChI=1S/C16H30N2S/c1-5-8-14(9-6-2)16(17-10-7-3)11-15-12-19-13(4)18-15/h12,14,16-17H,5-11H2,1-4H3
InChIKeyBXZGYNXSSSQXOY-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
N-[1-(2,6-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996996
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine (CID 104996994) is 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine is CCCNC(Cc1csc(C)n1)C(CCC)CCC.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine?
The InChIKey is BXZGYNXSSSQXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-8-14(9-6-2)16(17-10-7-3)11-15-12-19-13(4)18-15/h12,14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine?
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine is sourced from PubChem (CID 104996994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).