1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol

C11H17NO3S2 — CID 115088486

IUPAC1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(O)Cc1csc(C2CCCCS2(=O)=O)n1
InChIInChI=1S/C11H17NO3S2/c1-8(13)6-9-7-16-11(12-9)10-4-2-3-5-17(10,14)15/h7-8,10,13H,2-6H2,1H3
InChIKeyFISDYSXDCJGRSP-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.71
Rot. Bonds3

About 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol

1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 115088486) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID115088486
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(O)Cc1csc(C2CCCCS2(=O)=O)n1
InChIInChI=1S/C11H17NO3S2/c1-8(13)6-9-7-16-11(12-9)10-4-2-3-5-17(10,14)15/h7-8,10,13H,2-6H2,1H3
InChIKeyFISDYSXDCJGRSP-UHFFFAOYSA-N
XLogP1.71
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115088576
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088406
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088374
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088417
1-[2-(1,1-dioxothiolan-2-yl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082757
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 115088350
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088925
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090694
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997133
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol (CID 115088486) is 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol is CC(O)Cc1csc(C2CCCCS2(=O)=O)n1.
What is the InChIKey of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is FISDYSXDCJGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8(13)6-9-7-16-11(12-9)10-4-2-3-5-17(10,14)15/h7-8,10,13H,2-6H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol?
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 115088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).