2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid

C15H10N6O2S2 — CID 155592338

IUPAC2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Nc3nc4ccccc4s3)nn2)n1
InChIInChI=1S/C15H10N6O2S2/c22-13(23)9-7-24-14(17-9)18-11-5-6-12(21-20-11)19-15-16-8-3-1-2-4-10(8)25-15/h1-7H,(H,22,23)(H,16,19,21)(H,17,18,20)
InChIKeyRVMPTNDVIWIHQE-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.73
Rot. Bonds5

About 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid

2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 155592338) has the molecular formula C15H10N6O2S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID155592338
Molecular FormulaC15H10N6O2S2
Molecular Weight370.42 g/mol
Exact Mass370.03
IUPAC Name2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Nc3nc4ccccc4s3)nn2)n1
InChIInChI=1S/C15H10N6O2S2/c22-13(23)9-7-24-14(17-9)18-11-5-6-12(21-20-11)19-15-16-8-3-1-2-4-10(8)25-15/h1-7H,(H,22,23)(H,16,19,21)(H,17,18,20)
InChIKeyRVMPTNDVIWIHQE-UHFFFAOYSA-N
XLogP3.73
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid (CID 155592338) is 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2ccc(Nc3nc4ccccc4s3)nn2)n1.
What is the InChIKey of 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RVMPTNDVIWIHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2S2/c22-13(23)9-7-24-14(17-9)18-11-5-6-12(21-20-11)19-15-16-8-3-1-2-4-10(8)25-15/h1-7H,(H,22,23)(H,16,19,21)(H,17,18,20).
What are the key properties of 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 370.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1,3-benzothiazol-2-ylamino)pyridazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 155592338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).