2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one

C11H12N2OS2 — CID 170521186

IUPAC2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCc1nc(-c2nccs2)sc1C(=O)C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeySEDOMCHLMXJDKI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one

2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 170521186) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID170521186
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
SMILESCc1nc(-c2nccs2)sc1C(=O)C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeySEDOMCHLMXJDKI-UHFFFAOYSA-N
XLogP3.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one (CID 170521186) is 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one is Cc1nc(-c2nccs2)sc1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is SEDOMCHLMXJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-6(2)8(14)9-7(3)13-11(16-9)10-12-4-5-15-10/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one?
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 170521186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).