6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

C16H17N5OS — CID 154867895

IUPAC6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2cn[nH]c2-c2nccs2)n1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)12-6-4-5-10(19-12)14(22)20-11-9-18-21-13(11)15-17-7-8-23-15/h4-9H,1-3H3,(H,18,21)(H,20,22)
InChIKeyITOGGBGHTNTMMM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.48
Rot. Bonds3

About 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 154867895) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID154867895
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2cn[nH]c2-c2nccs2)n1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)12-6-4-5-10(19-12)14(22)20-11-9-18-21-13(11)15-17-7-8-23-15/h4-9H,1-3H3,(H,18,21)(H,20,22)
InChIKeyITOGGBGHTNTMMM-UHFFFAOYSA-N
XLogP3.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (CID 154867895) is 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is CC(C)(C)c1cccc(C(=O)Nc2cn[nH]c2-c2nccs2)n1.
What is the InChIKey of 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is ITOGGBGHTNTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-16(2,3)12-6-4-5-10(19-12)14(22)20-11-9-18-21-13(11)15-17-7-8-23-15/h4-9H,1-3H3,(H,18,21)(H,20,22).
What are the key properties of 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154867895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).