2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid

C15H15N3O5S2 — CID 146129884

IUPAC2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCc3ncsc3C2)cc1
InChIInChI=1S/C15H15N3O5S2/c19-14(20)7-16-15(21)10-1-3-11(4-2-10)25(22,23)18-6-5-12-13(8-18)24-9-17-12/h1-4,9H,5-8H2,(H,16,21)(H,19,20)
InChIKeyVRGYKLNPMWSOSP-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.70
Rot. Bonds5

About 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid

2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid (PubChem CID 146129884) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid
PubChem CID146129884
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Name2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCc3ncsc3C2)cc1
InChIInChI=1S/C15H15N3O5S2/c19-14(20)7-16-15(21)10-1-3-11(4-2-10)25(22,23)18-6-5-12-13(8-18)24-9-17-12/h1-4,9H,5-8H2,(H,16,21)(H,19,20)
InChIKeyVRGYKLNPMWSOSP-UHFFFAOYSA-N
XLogP0.70
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)benzoic acid
CID 110712843
2-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylbenzoyl]amino]acetic acid
CID 171349451
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309
3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82096765
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
CID 32736672
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide
CID 128999522
4-(azepan-1-ylsulfonyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357041

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid (CID 146129884) is 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCc3ncsc3C2)cc1.
What is the InChIKey of 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid?
The InChIKey is VRGYKLNPMWSOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c19-14(20)7-16-15(21)10-1-3-11(4-2-10)25(22,23)18-6-5-12-13(8-18)24-9-17-12/h1-4,9H,5-8H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid?
2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid has a molecular weight of 381.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylsulfonyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 146129884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).