2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone

C13H15NOS2 — CID 115789405

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H15NOS2/c1-4-10-5-6-16-13(10)11(15)7-12-14-8(2)9(3)17-12/h5-6H,4,7H2,1-3H3
InChIKeyRHKUPMQYOULWLE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.81
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone (PubChem CID 115789405) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
PubChem CID115789405
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H15NOS2/c1-4-10-5-6-16-13(10)11(15)7-12-14-8(2)9(3)17-12/h5-6H,4,7H2,1-3H3
InChIKeyRHKUPMQYOULWLE-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198
1-(3-ethylthiophen-2-yl)-2-methoxyethanone
CID 115783314
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone (CID 115789405) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone is CCc1ccsc1C(=O)Cc1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The InChIKey is RHKUPMQYOULWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-4-10-5-6-16-13(10)11(15)7-12-14-8(2)9(3)17-12/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone has a molecular weight of 265.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 115789405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).