2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide

C25H26N4O2S — CID 163993996

IUPAC2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide
SMILESCc1nc(NC(=O)C(O)CC(C)C)sc1-c1ccc2c(c1)CN=C2/C=C/c1ccccn1
InChIInChI=1S/C25H26N4O2S/c1-15(2)12-22(30)24(31)29-25-28-16(3)23(32-25)17-7-9-20-18(13-17)14-27-21(20)10-8-19-6-4-5-11-26-19/h4-11,13,15,22,30H,12,14H2,1-3H3,(H,28,29,31)/b10-8+
InChIKeyUDCDNJFYSNOHTI-CSKARUKUSA-N
MW446.58 g/mol
LogP4.88
Rot. Bonds7

About 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide

2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 163993996) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide
PubChem CID163993996
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide
SMILESCc1nc(NC(=O)C(O)CC(C)C)sc1-c1ccc2c(c1)CN=C2/C=C/c1ccccn1
InChIInChI=1S/C25H26N4O2S/c1-15(2)12-22(30)24(31)29-25-28-16(3)23(32-25)17-7-9-20-18(13-17)14-27-21(20)10-8-19-6-4-5-11-26-19/h4-11,13,15,22,30H,12,14H2,1-3H3,(H,28,29,31)/b10-8+
InChIKeyUDCDNJFYSNOHTI-CSKARUKUSA-N
XLogP4.88
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide (CID 163993996) is 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide is Cc1nc(NC(=O)C(O)CC(C)C)sc1-c1ccc2c(c1)CN=C2/C=C/c1ccccn1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is UDCDNJFYSNOHTI-CSKARUKUSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-15(2)12-22(30)24(31)29-25-28-16(3)23(32-25)17-7-9-20-18(13-17)14-27-21(20)10-8-19-6-4-5-11-26-19/h4-11,13,15,22,30H,12,14H2,1-3H3,(H,28,29,31)/b10-8+.
What are the key properties of 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide?
2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 446.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 163993996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).