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

C11H11NOS2 — CID 62800195

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
SMILESCc1nc(CC(=O)Cc2ccsc2)cs1
InChIInChI=1S/C11H11NOS2/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h2-3,6-7H,4-5H2,1H3
InChIKeyWISXRAQLRGUXQL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.87
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one (PubChem CID 62800195) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
PubChem CID62800195
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
SMILESCc1nc(CC(=O)Cc2ccsc2)cs1
InChIInChI=1S/C11H11NOS2/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h2-3,6-7H,4-5H2,1H3
InChIKeyWISXRAQLRGUXQL-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 92563903
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-one
CID 105118447
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 65317065
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one
CID 105128801
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one (CID 62800195) is 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one is Cc1nc(CC(=O)Cc2ccsc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is WISXRAQLRGUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one?
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 62800195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).