1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone

C16H20N2OS — CID 118732492

IUPAC1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-10-14(11(2)19)20-15(17-10)18-13-8-6-12(7-9-13)16(3,4)5/h6-9H,1-5H3,(H,17,18)
InChIKeyHROPTTAKICFLBX-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 118732492) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID118732492
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-10-14(11(2)19)20-15(17-10)18-13-8-6-12(7-9-13)16(3,4)5/h6-9H,1-5H3,(H,17,18)
InChIKeyHROPTTAKICFLBX-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 118732492) is 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc(C(C)(C)C)cc2)nc1C.
What is the InChIKey of 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is HROPTTAKICFLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-14(11(2)19)20-15(17-10)18-13-8-6-12(7-9-13)16(3,4)5/h6-9H,1-5H3,(H,17,18).
What are the key properties of 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 288.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 118732492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).