3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid

C10H13NO2S2 — CID 115087775

IUPAC3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(C2CCSC2)n1
InChIInChI=1S/C10H13NO2S2/c12-9(13)2-1-8-6-15-10(11-8)7-3-4-14-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyRSSMKWNOKWJMEE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.38
Rot. Bonds4

About 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 115087775) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID115087775
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(C2CCSC2)n1
InChIInChI=1S/C10H13NO2S2/c12-9(13)2-1-8-6-15-10(11-8)7-3-4-14-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyRSSMKWNOKWJMEE-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088318
2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 164648525
2-[2-(thian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088245
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
3-[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 106600541
3-[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]propanoic acid
CID 115044337
N-methyl-3-[2-(thian-4-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087886

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid (CID 115087775) is 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(C2CCSC2)n1.
What is the InChIKey of 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is RSSMKWNOKWJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c12-9(13)2-1-8-6-15-10(11-8)7-3-4-14-5-7/h6-7H,1-5H2,(H,12,13).
What are the key properties of 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 115087775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).