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

C13H16N2OS2 — CID 151608953

IUPACbis(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)c2csc(C(C)C)n2)cs1
InChIInChI=1S/C13H16N2OS2/c1-7(2)12-14-9(5-17-12)11(16)10-6-18-13(15-10)8(3)4/h5-8H,1-4H3
InChIKeyQMBSLQRDJUKNCW-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.08
Rot. Bonds4

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

bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 151608953) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namebis(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID151608953
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Namebis(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)c2csc(C(C)C)n2)cs1
InChIInChI=1S/C13H16N2OS2/c1-7(2)12-14-9(5-17-12)11(16)10-6-18-13(15-10)8(3)4/h5-8H,1-4H3
InChIKeyQMBSLQRDJUKNCW-UHFFFAOYSA-N
XLogP4.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 151608953) is bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)c2csc(C(C)C)n2)cs1.
What is the InChIKey of bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is QMBSLQRDJUKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-7(2)12-14-9(5-17-12)11(16)10-6-18-13(15-10)8(3)4/h5-8H,1-4H3.
What are the key properties of bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 280.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 151608953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).