1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine

C16H30N2S — CID 63405438

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1nc(C(C)(C)C)cs1)C(CC)CC
InChIInChI=1S/C16H30N2S/c1-7-10-17-14(12(8-2)9-3)15-18-13(11-19-15)16(4,5)6/h11-12,14,17H,7-10H2,1-6H3
InChIKeyQLEXBQYZRPZYSK-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.92
Rot. Bonds7

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 63405438) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID63405438
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1nc(C(C)(C)C)cs1)C(CC)CC
InChIInChI=1S/C16H30N2S/c1-7-10-17-14(12(8-2)9-3)15-18-13(11-19-15)16(4,5)6/h11-12,14,17H,7-10H2,1-6H3
InChIKeyQLEXBQYZRPZYSK-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine (CID 63405438) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1nc(C(C)(C)C)cs1)C(CC)CC.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is QLEXBQYZRPZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-10-17-14(12(8-2)9-3)15-18-13(11-19-15)16(4,5)6/h11-12,14,17H,7-10H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 63405438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).