3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide

C13H11N5O3S — CID 69494852

IUPAC3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1
InChIInChI=1S/C13H11N5O3S/c14-10(20)13-16-12-9(22-13)11(17-18-12)15-8(19)6-21-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,20)(H2,15,17,18,19)
InChIKeyNWMNIZQNYUACQF-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.14
Rot. Bonds5

About 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide

3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide (PubChem CID 69494852) has the molecular formula C13H11N5O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide
PubChem CID69494852
Molecular FormulaC13H11N5O3S
Molecular Weight317.33 g/mol
Exact Mass317.06
IUPAC Name3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1
InChIInChI=1S/C13H11N5O3S/c14-10(20)13-16-12-9(22-13)11(17-18-12)15-8(19)6-21-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,20)(H2,15,17,18,19)
InChIKeyNWMNIZQNYUACQF-UHFFFAOYSA-N
XLogP1.14
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide (CID 69494852) is 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide is NC(=O)c1nc2n[nH]c(NC(=O)COc3ccccc3)c2s1.
What is the InChIKey of 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide?
The InChIKey is NWMNIZQNYUACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S/c14-10(20)13-16-12-9(22-13)11(17-18-12)15-8(19)6-21-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,20)(H2,15,17,18,19).
What are the key properties of 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide?
3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 69494852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).