2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid

C11H7N3O2S2 — CID 64589357

IUPAC2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
SMILESN#Cc1cccc(Sc2nc(CC(=O)O)cs2)n1
InChIInChI=1S/C11H7N3O2S2/c12-5-7-2-1-3-9(13-7)18-11-14-8(6-17-11)4-10(15)16/h1-3,6H,4H2,(H,15,16)
InChIKeySIDMUEICBSYDNF-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 64589357) has the molecular formula C11H7N3O2S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID64589357
Molecular FormulaC11H7N3O2S2
Molecular Weight277.33 g/mol
Exact Mass277.00
IUPAC Name2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
SMILESN#Cc1cccc(Sc2nc(CC(=O)O)cs2)n1
InChIInChI=1S/C11H7N3O2S2/c12-5-7-2-1-3-9(13-7)18-11-14-8(6-17-11)4-10(15)16/h1-3,6H,4H2,(H,15,16)
InChIKeySIDMUEICBSYDNF-UHFFFAOYSA-N
XLogP2.19
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64588953
2-[2-[(4-cyano-6-methyl-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114768274
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 113390777
2-[2-[(2-chloro-4-cyanophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 102663412
2-[2-[(6-chloro-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 79240903
2-[2-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114574041
N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133392455
6-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64589155
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64588756
2-[2-[(6-propanoyl-3-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 115938820
6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid (CID 64589357) is 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid is N#Cc1cccc(Sc2nc(CC(=O)O)cs2)n1.
What is the InChIKey of 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SIDMUEICBSYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S2/c12-5-7-2-1-3-9(13-7)18-11-14-8(6-17-11)4-10(15)16/h1-3,6H,4H2,(H,15,16).
What are the key properties of 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 277.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 64589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).