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

C25H25N5OS2 — CID 143711765

IUPACN-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCCCC(CNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1)c1ccccc1
InChIInChI=1S/C25H25N5OS2/c1-2-8-19(18-9-4-3-5-10-18)16-28-24(31)21-15-20(12-14-26-21)32-23-17-29-25(33-23)30-22-11-6-7-13-27-22/h3-7,9-15,17,19H,2,8,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyMYUSMGOYDAMCHQ-UHFFFAOYSA-N
MW475.64 g/mol
LogP6.14
Rot. Bonds10

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

N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 143711765) has the molecular formula C25H25N5OS2 and a molecular weight of 475.64 g/mol. Its IUPAC name is N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID143711765
Molecular FormulaC25H25N5OS2
Molecular Weight475.64 g/mol
Exact Mass475.15
IUPAC NameN-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCCCC(CNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1)c1ccccc1
InChIInChI=1S/C25H25N5OS2/c1-2-8-19(18-9-4-3-5-10-18)16-28-24(31)21-15-20(12-14-26-21)32-23-17-29-25(33-23)30-22-11-6-7-13-27-22/h3-7,9-15,17,19H,2,8,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyMYUSMGOYDAMCHQ-UHFFFAOYSA-N
XLogP6.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 143711765) is N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is CCCC(CNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1)c1ccccc1.
What is the InChIKey of N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is MYUSMGOYDAMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS2/c1-2-8-19(18-9-4-3-5-10-18)16-28-24(31)21-15-20(12-14-26-21)32-23-17-29-25(33-23)30-22-11-6-7-13-27-22/h3-7,9-15,17,19H,2,8,16H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 6.14, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 143711765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).