N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H18N4OS — CID 22282339

IUPACN-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1
InChIInChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
InChIKeyYDXZLBYHXZOWOC-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.14
Rot. Bonds4

About N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 22282339) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID22282339
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC NameN-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1
InChIInChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
InChIKeyYDXZLBYHXZOWOC-UHFFFAOYSA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 22282339) is N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1.
What is the InChIKey of N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is YDXZLBYHXZOWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27).
What are the key properties of N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 22282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).