3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine

C13H24N2S — CID 65169094

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C)c(C)s1
InChIInChI=1S/C13H24N2S/c1-6-8-14-10(4)12(7-2)13-15-9(3)11(5)16-13/h10,12,14H,6-8H2,1-5H3
InChIKeyHJXYNKREIUWBEO-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.64
Rot. Bonds6

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine (PubChem CID 65169094) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
PubChem CID65169094
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C)c(C)s1
InChIInChI=1S/C13H24N2S/c1-6-8-14-10(4)12(7-2)13-15-9(3)11(5)16-13/h10,12,14H,6-8H2,1-5H3
InChIKeyHJXYNKREIUWBEO-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65169091
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 61334577
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 65168760
N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107004833
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115729046
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine
CID 61336143
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
CID 61333638
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine (CID 65169094) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine is CCCNC(C)C(CC)c1nc(C)c(C)s1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The InChIKey is HJXYNKREIUWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-14-10(4)12(7-2)13-15-9(3)11(5)16-13/h10,12,14H,6-8H2,1-5H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 65169094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).