1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C15H25N5S — CID 43783935

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)c1nncn1C
InChIInChI=1S/C15H25N5S/c1-9(17-11(3)13-19-16-8-20(13)7)12-10(2)18-14(21-12)15(4,5)6/h8-9,11,17H,1-7H3
InChIKeyPYRYAMSEALTVAA-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 43783935) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID43783935
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)c1nncn1C
InChIInChI=1S/C15H25N5S/c1-9(17-11(3)13-19-16-8-20(13)7)12-10(2)18-14(21-12)15(4,5)6/h8-9,11,17H,1-7H3
InChIKeyPYRYAMSEALTVAA-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 43783935) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NC(C)c1nncn1C.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is PYRYAMSEALTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-9(17-11(3)13-19-16-8-20(13)7)12-10(2)18-14(21-12)15(4,5)6/h8-9,11,17H,1-7H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 307.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43783935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).