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

C13H24N2S — CID 62799003

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1csc(C)n1)NCCC
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(14-8-5-2)9-13-10-16-11(3)15-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLBIVCXXSNHTWLG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.55
Rot. Bonds8

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

1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine (PubChem CID 62799003) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
PubChem CID62799003
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1csc(C)n1)NCCC
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(14-8-5-2)9-13-10-16-11(3)15-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLBIVCXXSNHTWLG-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
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
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine (CID 62799003) is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine is CCCCC(Cc1csc(C)n1)NCCC.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine?
The InChIKey is LBIVCXXSNHTWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-7-12(14-8-5-2)9-13-10-16-11(3)15-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine?
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.55, 8 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-propylhexan-2-amine is sourced from PubChem (CID 62799003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).