bis(2-butyl-1,3-thiazol-4-yl)methanone

C15H20N2OS2 — CID 151134675

IUPACbis(2-butyl-1,3-thiazol-4-yl)methanone
SMILESCCCCc1nc(C(=O)c2csc(CCCC)n2)cs1
InChIInChI=1S/C15H20N2OS2/c1-3-5-7-13-16-11(9-19-13)15(18)12-10-20-14(17-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMUYPXXNBXMCDDI-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.52
Rot. Bonds8

About bis(2-butyl-1,3-thiazol-4-yl)methanone

bis(2-butyl-1,3-thiazol-4-yl)methanone (PubChem CID 151134675) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is bis(2-butyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namebis(2-butyl-1,3-thiazol-4-yl)methanone
PubChem CID151134675
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Namebis(2-butyl-1,3-thiazol-4-yl)methanone
SMILESCCCCc1nc(C(=O)c2csc(CCCC)n2)cs1
InChIInChI=1S/C15H20N2OS2/c1-3-5-7-13-16-11(9-19-13)15(18)12-10-20-14(17-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMUYPXXNBXMCDDI-UHFFFAOYSA-N
XLogP4.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-butyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of bis(2-butyl-1,3-thiazol-4-yl)methanone (CID 151134675) is bis(2-butyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for bis(2-butyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for bis(2-butyl-1,3-thiazol-4-yl)methanone is CCCCc1nc(C(=O)c2csc(CCCC)n2)cs1.
What is the InChIKey of bis(2-butyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MUYPXXNBXMCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-3-5-7-13-16-11(9-19-13)15(18)12-10-20-14(17-12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of bis(2-butyl-1,3-thiazol-4-yl)methanone?
bis(2-butyl-1,3-thiazol-4-yl)methanone has a molecular weight of 308.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 151134675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).