4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

C10H9N3O2S2 — CID 61319881

IUPAC4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
SMILESNc1cccnc1SCc1csc(C(=O)O)n1
InChIInChI=1S/C10H9N3O2S2/c11-7-2-1-3-12-8(7)16-4-6-5-17-9(13-6)10(14)15/h1-3,5H,4,11H2,(H,14,15)
InChIKeyIUGMANGIMABYCJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.11
Rot. Bonds4

About 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 61319881) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
PubChem CID61319881
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
SMILESNc1cccnc1SCc1csc(C(=O)O)n1
InChIInChI=1S/C10H9N3O2S2/c11-7-2-1-3-12-8(7)16-4-6-5-17-9(13-6)10(14)15/h1-3,5H,4,11H2,(H,14,15)
InChIKeyIUGMANGIMABYCJ-UHFFFAOYSA-N
XLogP2.11
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567
4-[(3-amino-4-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 61319868
2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 26435129
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62645923
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664392
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
CID 66338434

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid (CID 61319881) is 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid is Nc1cccnc1SCc1csc(C(=O)O)n1.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is IUGMANGIMABYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c11-7-2-1-3-12-8(7)16-4-6-5-17-9(13-6)10(14)15/h1-3,5H,4,11H2,(H,14,15).
What are the key properties of 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 61319881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).