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

C12H22N2S — CID 61333402

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-5-7-11(13-8-6-2)12-14-9(3)10(4)15-12/h11,13H,5-8H2,1-4H3
InChIKeyGPKMYEAGLDRVES-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.60
Rot. Bonds6

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine (PubChem CID 61333402) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
PubChem CID61333402
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-5-7-11(13-8-6-2)12-14-9(3)10(4)15-12/h11,13H,5-8H2,1-4H3
InChIKeyGPKMYEAGLDRVES-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine (CID 61333402) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The InChIKey is GPKMYEAGLDRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-7-11(13-8-6-2)12-14-9(3)10(4)15-12/h11,13H,5-8H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 61333402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).