1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one

C9H11NO3S — CID 103543774

IUPAC1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)CC1OCCO1
InChIInChI=1S/C9H11NO3S/c11-7(5-8-10-1-4-14-8)6-9-12-2-3-13-9/h1,4,9H,2-3,5-6H2
InChIKeyMEVSZDGJSSPRDU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.02
Rot. Bonds4

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

1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 103543774) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID103543774
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)CC1OCCO1
InChIInChI=1S/C9H11NO3S/c11-7(5-8-10-1-4-14-8)6-9-12-2-3-13-9/h1,4,9H,2-3,5-6H2
InChIKeyMEVSZDGJSSPRDU-UHFFFAOYSA-N
XLogP1.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-one
CID 131227158
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 147300266
1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 147017160
1-(1,3-thiazol-2-yl)but-3-en-2-one
CID 103453622
6,6-dimethyl-1-(1,3-thiazol-2-yl)heptane-2,4-dione
CID 58474334
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58516398
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 116575387

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one (CID 103543774) is 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is MEVSZDGJSSPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-7(5-8-10-1-4-14-8)6-9-12-2-3-13-9/h1,4,9H,2-3,5-6H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 213.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 103543774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).