N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

C13H12N4OS — CID 166229758

IUPACN-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1nc(C)c(NC(=O)c2n[nH]c3ccccc23)s1
InChIInChI=1S/C13H12N4OS/c1-7-13(19-8(2)14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H,1-2H3,(H,15,18)(H,16,17)
InChIKeyCYIKYKLKPIWLOF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.89
Rot. Bonds2

About N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 166229758) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID166229758
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1nc(C)c(NC(=O)c2n[nH]c3ccccc23)s1
InChIInChI=1S/C13H12N4OS/c1-7-13(19-8(2)14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H,1-2H3,(H,15,18)(H,16,17)
InChIKeyCYIKYKLKPIWLOF-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (CID 166229758) is N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is Cc1nc(C)c(NC(=O)c2n[nH]c3ccccc23)s1.
What is the InChIKey of N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is CYIKYKLKPIWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-13(19-8(2)14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 166229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).