1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone

C10H9NOS2 — CID 115795942

IUPAC1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1cncs1
InChIInChI=1S/C10H9NOS2/c1-7-2-3-13-10(7)9(12)4-8-5-11-6-14-8/h2-3,5-6H,4H2,1H3
InChIKeyBPNUGGQKAIFPKS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 115795942) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID115795942
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1cncs1
InChIInChI=1S/C10H9NOS2/c1-7-2-3-13-10(7)9(12)4-8-5-11-6-14-8/h2-3,5-6H,4H2,1H3
InChIKeyBPNUGGQKAIFPKS-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 116826388
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
2-(4-aminophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 116549460
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 79992159
2-methyl-3-[2-(3-methylthiophen-2-yl)-2-oxoethyl]naphthalene-1,4-dione
CID 162658724
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 115795942) is 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone is Cc1ccsc1C(=O)Cc1cncs1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is BPNUGGQKAIFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-7-2-3-13-10(7)9(12)4-8-5-11-6-14-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 115795942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).