5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C13H10N6O2S — CID 71618252

IUPAC5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C13H10N6O2S/c14-10(20)9-13(18-11(21)8-3-6-16-19-8)22-12(17-9)7-1-4-15-5-2-7/h1-6H,(H2,14,20)(H,16,19)(H,18,21)
InChIKeyOTXRVPQAZZPSSR-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.28
Rot. Bonds4

About 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71618252) has the molecular formula C13H10N6O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71618252
Molecular FormulaC13H10N6O2S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC Name5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C13H10N6O2S/c14-10(20)9-13(18-11(21)8-3-6-16-19-8)22-12(17-9)7-1-4-15-5-2-7/h1-6H,(H2,14,20)(H,16,19)(H,18,21)
InChIKeyOTXRVPQAZZPSSR-UHFFFAOYSA-N
XLogP1.28
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71618252) is 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccn[nH]1.
What is the InChIKey of 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OTXRVPQAZZPSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2S/c14-10(20)9-13(18-11(21)8-3-6-16-19-8)22-12(17-9)7-1-4-15-5-2-7/h1-6H,(H2,14,20)(H,16,19)(H,18,21).
What are the key properties of 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazole-5-carbonylamino)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71618252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).