2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid

C10H12N2O3S2 — CID 956921

IUPAC2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12N2O3S2/c13-8(4-16-5-9(14)15)12-10-11-6-2-1-3-7(6)17-10/h1-5H2,(H,14,15)(H,11,12,13)
InChIKeyMJMQQVZXXAIONQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.39
Rot. Bonds5

About 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 956921) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID956921
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12N2O3S2/c13-8(4-16-5-9(14)15)12-10-11-6-2-1-3-7(6)17-10/h1-5H2,(H,14,15)(H,11,12,13)
InChIKeyMJMQQVZXXAIONQ-UHFFFAOYSA-N
XLogP1.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid (CID 956921) is 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is MJMQQVZXXAIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c13-8(4-16-5-9(14)15)12-10-11-6-2-1-3-7(6)17-10/h1-5H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 272.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 956921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).