bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C15H20N2OS2 — CID 150769865

IUPACbis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)c2csc(CC(C)C)n2)cs1
InChIInChI=1S/C15H20N2OS2/c1-9(2)5-13-16-11(7-19-13)15(18)12-8-20-14(17-12)6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJZQBJHVBKOWINN-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.23
Rot. Bonds6

About bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 150769865) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Namebis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID150769865
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Namebis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)c2csc(CC(C)C)n2)cs1
InChIInChI=1S/C15H20N2OS2/c1-9(2)5-13-16-11(7-19-13)15(18)12-8-20-14(17-12)6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJZQBJHVBKOWINN-UHFFFAOYSA-N
XLogP4.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 150769865) is bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)Cc1nc(C(=O)c2csc(CC(C)C)n2)cs1.
What is the InChIKey of bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is JZQBJHVBKOWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-9(2)5-13-16-11(7-19-13)15(18)12-8-20-14(17-12)6-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 308.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 150769865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).