1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one

C10H9NOS2 — CID 116966409

IUPAC1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C10H9NOS2/c1-7(12)5-10-11-8(6-14-10)9-3-2-4-13-9/h2-4,6H,5H2,1H3
InChIKeyZSDPEMIMLIJYIQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one

1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 116966409) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
PubChem CID116966409
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C10H9NOS2/c1-7(12)5-10-11-8(6-14-10)9-3-2-4-13-9/h2-4,6H,5H2,1H3
InChIKeyZSDPEMIMLIJYIQ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
2-[[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 54582187
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
3-[methyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]amino]propanoic acid
CID 82103529
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
CID 116969681
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one (CID 116966409) is 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one is CC(=O)Cc1nc(-c2cccs2)cs1.
What is the InChIKey of 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is ZSDPEMIMLIJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-7(12)5-10-11-8(6-14-10)9-3-2-4-13-9/h2-4,6H,5H2,1H3.
What are the key properties of 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one?
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 223.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 116966409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).