1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one

C10H13NOS2 — CID 115090502

IUPAC1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(C2CCCS2)s1
InChIInChI=1S/C10H13NOS2/c1-7(12)5-8-6-11-10(14-8)9-3-2-4-13-9/h6,9H,2-5H2,1H3
InChIKeyMWCOLBRHLMXVMH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one

1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115090502) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
PubChem CID115090502
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(C2CCCS2)s1
InChIInChI=1S/C10H13NOS2/c1-7(12)5-8-6-11-10(14-8)9-3-2-4-13-9/h6,9H,2-5H2,1H3
InChIKeyMWCOLBRHLMXVMH-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090699
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115089794
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
2-[5-(thiolan-2-yl)-1,2-oxazol-4-yl]acetic acid
CID 105466706
1-[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethanone
CID 80638095
4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620012
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 80620280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one (CID 115090502) is 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(C2CCCS2)s1.
What is the InChIKey of 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is MWCOLBRHLMXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-7(12)5-8-6-11-10(14-8)9-3-2-4-13-9/h6,9H,2-5H2,1H3.
What are the key properties of 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one?
1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115090502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).