1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one

C11H15NOS2 — CID 115087946

IUPAC1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(CC2CCSC2)n1
InChIInChI=1S/C11H15NOS2/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeySUYQYURTYMHOOJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one

1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115087946) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID115087946
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(CC2CCSC2)n1
InChIInChI=1S/C11H15NOS2/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeySUYQYURTYMHOOJ-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088642
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
[4-[[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]methyl]phenyl] acetate
CID 119050942
1-(thiolan-3-yl)propan-2-one
CID 82651393
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one (CID 115087946) is 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(CC2CCSC2)n1.
What is the InChIKey of 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is SUYQYURTYMHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 241.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115087946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).