1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone

C14H23NOS — CID 82439111

IUPAC1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCCC(CC)c1nc(C(C)(C)C)c(C(C)=O)s1
InChIInChI=1S/C14H23NOS/c1-7-10(8-2)13-15-12(14(4,5)6)11(17-13)9(3)16/h10H,7-8H2,1-6H3
InChIKeyAWLHPOTUIWIGEU-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.55
Rot. Bonds4

About 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone

1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82439111) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82439111
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCCC(CC)c1nc(C(C)(C)C)c(C(C)=O)s1
InChIInChI=1S/C14H23NOS/c1-7-10(8-2)13-15-12(14(4,5)6)11(17-13)9(3)16/h10H,7-8H2,1-6H3
InChIKeyAWLHPOTUIWIGEU-UHFFFAOYSA-N
XLogP4.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone (CID 82439111) is 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone is CCC(CC)c1nc(C(C)(C)C)c(C(C)=O)s1.
What is the InChIKey of 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is AWLHPOTUIWIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-7-10(8-2)13-15-12(14(4,5)6)11(17-13)9(3)16/h10H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 253.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82439111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).