N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

C20H17N5OS — CID 156760481

IUPACN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C20H17N5OS/c1-12-19(27-20(22-12)23-13(2)26)14-6-8-16-17(24-25-18(16)11-14)9-7-15-5-3-4-10-21-15/h3-11H,1-2H3,(H,24,25)(H,22,23,26)/b9-7+
InChIKeyDCHAMIDLDHJNCN-VQHVLOKHSA-N
MW375.46 g/mol
LogP4.52
Rot. Bonds4

About N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 156760481) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID156760481
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C20H17N5OS/c1-12-19(27-20(22-12)23-13(2)26)14-6-8-16-17(24-25-18(16)11-14)9-7-15-5-3-4-10-21-15/h3-11H,1-2H3,(H,24,25)(H,22,23,26)/b9-7+
InChIKeyDCHAMIDLDHJNCN-VQHVLOKHSA-N
XLogP4.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide 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 N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (CID 156760481) is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1.
What is the InChIKey of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DCHAMIDLDHJNCN-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-19(27-20(22-12)23-13(2)26)14-6-8-16-17(24-25-18(16)11-14)9-7-15-5-3-4-10-21-15/h3-11H,1-2H3,(H,24,25)(H,22,23,26)/b9-7+.
What are the key properties of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 375.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 156760481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).