2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone

C13H9N3OS2 — CID 105113691

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1csnn1
InChIInChI=1S/C13H9N3OS2/c17-12(11-8-19-16-15-11)6-13-14-10(7-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyUTBRXNDZYPDOMP-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone

2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone (PubChem CID 105113691) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
PubChem CID105113691
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1csnn1
InChIInChI=1S/C13H9N3OS2/c17-12(11-8-19-16-15-11)6-13-14-10(7-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyUTBRXNDZYPDOMP-UHFFFAOYSA-N
XLogP3.09
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
CID 113391216
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone (CID 105113691) is 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone is O=C(Cc1nc(-c2ccccc2)cs1)c1csnn1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone?
The InChIKey is UTBRXNDZYPDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c17-12(11-8-19-16-15-11)6-13-14-10(7-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone?
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone has a molecular weight of 287.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 105113691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).