3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide

C20H17N5O2S — CID 22480137

IUPAC3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
SMILESCc1ncc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)s1
InChIInChI=1S/C20H17N5O2S/c1-11-22-10-15(28-11)9-18(26)23-14-4-2-3-12(7-14)19-16-8-13(20(21)27)5-6-17(16)24-25-19/h2-8,10H,9H2,1H3,(H2,21,27)(H,23,26)(H,24,25)
InChIKeyHRIGKGCHQMZKLK-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.27
Rot. Bonds5

About 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide

3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide (PubChem CID 22480137) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
PubChem CID22480137
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
SMILESCc1ncc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)s1
InChIInChI=1S/C20H17N5O2S/c1-11-22-10-15(28-11)9-18(26)23-14-4-2-3-12(7-14)19-16-8-13(20(21)27)5-6-17(16)24-25-19/h2-8,10H,9H2,1H3,(H2,21,27)(H,23,26)(H,24,25)
InChIKeyHRIGKGCHQMZKLK-UHFFFAOYSA-N
XLogP3.27
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 9869058
CID 9869058
CID 18621561
CID 18621561
CID 22978186
CID 22978186
CID 22978194
CID 22978194
CID 139431487
CID 139431487
CID 46889199
CID 46889199
CID 90656737
CID 90656737
CID 127038828
CID 127038828
CID 57698309
CID 57698309
CID 139431536
CID 139431536
CID 121480088
CID 121480088
CID 9120485
CID 9120485

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide (CID 22480137) is 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide is Cc1ncc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)s1.
What is the InChIKey of 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is HRIGKGCHQMZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-11-22-10-15(28-11)9-18(26)23-14-4-2-3-12(7-14)19-16-8-13(20(21)27)5-6-17(16)24-25-19/h2-8,10H,9H2,1H3,(H2,21,27)(H,23,26)(H,24,25).
What are the key properties of 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22480137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).