N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide

C20H20N4OS — CID 163220913

IUPACN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc2ccc(-c3c(C)ccc4[nH]ncc34)cc2s1
InChIInChI=1S/C20H20N4OS/c1-3-4-5-18(25)23-20-22-16-9-7-13(10-17(16)26-20)19-12(2)6-8-15-14(19)11-21-24-15/h6-11H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyLDUKPMQSCCDQSG-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.28
Rot. Bonds5

About N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide

N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide (PubChem CID 163220913) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide
PubChem CID163220913
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc2ccc(-c3c(C)ccc4[nH]ncc34)cc2s1
InChIInChI=1S/C20H20N4OS/c1-3-4-5-18(25)23-20-22-16-9-7-13(10-17(16)26-20)19-12(2)6-8-15-14(19)11-21-24-15/h6-11H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyLDUKPMQSCCDQSG-UHFFFAOYSA-N
XLogP5.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-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 N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide?
The IUPAC name of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide (CID 163220913) is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide.
What is the SMILES notation for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide?
The canonical SMILES for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc2ccc(-c3c(C)ccc4[nH]ncc34)cc2s1.
What is the InChIKey of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide?
The InChIKey is LDUKPMQSCCDQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-3-4-5-18(25)23-20-22-16-9-7-13(10-17(16)26-20)19-12(2)6-8-15-14(19)11-21-24-15/h6-11H,3-5H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide?
N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide has a molecular weight of 364.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]pentanamide is sourced from PubChem (CID 163220913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).