2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

C13H24N2S — CID 61335180

IUPAC2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)(CC)c1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-8-14-13(5,7-2)12-15-11(9-16-12)10(3)4/h9-10,14H,6-8H2,1-5H3
InChIKeyJDGKYMIDEYOUJX-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.89
Rot. Bonds6

About 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine

2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 61335180) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
PubChem CID61335180
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)(CC)c1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-8-14-13(5,7-2)12-15-11(9-16-12)10(3)4/h9-10,14H,6-8H2,1-5H3
InChIKeyJDGKYMIDEYOUJX-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
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Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
CID 4274577
2-(4-Cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5207560
(4-Cyclopropyl-1,3-thiazol-2-yl)methanamine
CID 3896896
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
CID 12150004
3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 15034992

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (CID 61335180) is 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is CCCNC(C)(CC)c1nc(C(C)C)cs1.
What is the InChIKey of 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is JDGKYMIDEYOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-14-13(5,7-2)12-15-11(9-16-12)10(3)4/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 61335180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).