N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C13H15N3OS — CID 697160

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)9-5-4-6-14-7-9/h4-8H,1-3H3,(H,15,16,17)
InChIKeyKPEHERGHCIGZNK-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.09
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 697160) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID697160
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)9-5-4-6-14-7-9/h4-8H,1-3H3,(H,15,16,17)
InChIKeyKPEHERGHCIGZNK-UHFFFAOYSA-N
XLogP3.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 697160) is N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is CC(C)(C)c1csc(NC(=O)c2cccnc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is KPEHERGHCIGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)9-5-4-6-14-7-9/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 697160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).