3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C8H9N3O3S2 — CID 62789131

IUPAC3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1nc(C(=O)N2CSCC2C(=O)O)cs1
InChIInChI=1S/C8H9N3O3S2/c9-8-10-4(1-16-8)6(12)11-3-15-2-5(11)7(13)14/h1,5H,2-3H2,(H2,9,10)(H,13,14)
InChIKeyDELNJIYHPRJZNX-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.32
Rot. Bonds2

About 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62789131) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62789131
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1nc(C(=O)N2CSCC2C(=O)O)cs1
InChIInChI=1S/C8H9N3O3S2/c9-8-10-4(1-16-8)6(12)11-3-15-2-5(11)7(13)14/h1,5H,2-3H2,(H2,9,10)(H,13,14)
InChIKeyDELNJIYHPRJZNX-UHFFFAOYSA-N
XLogP0.32
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Amino-1,3-thiazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 176126386
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 55115783
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 62787375
1-(2-Amino-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709424
2-[(2-Amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258494
2-[(2-Acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265062
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 107479329
2-[Butan-2-yl-[2-(methylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 166234946
3-[[2-[[2-(Diaminomethylideneamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]propanoic acid
CID 18322716
2-[[2-[[2-(Diaminomethylideneamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]butanedioic acid
CID 18322717
3-[3-[[2-(Diaminomethylideneamino)-1,3-thiazole-4-carbonyl]amino]propanoylamino]propanoic acid
CID 18322818
2-[[2-(Diaminomethylideneamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18323037

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 62789131) is 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Nc1nc(C(=O)N2CSCC2C(=O)O)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DELNJIYHPRJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c9-8-10-4(1-16-8)6(12)11-3-15-2-5(11)7(13)14/h1,5H,2-3H2,(H2,9,10)(H,13,14).
What are the key properties of 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62789131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).