N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide

C18H20N4O3S — CID 137377558

IUPACN-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1csc(C)n1
InChIInChI=1S/C18H20N4O3S/c1-11-19-16(10-26-11)18(23)20-15-7-12-9-22(13-3-5-25-6-4-13)21-14(12)8-17(15)24-2/h7-10,13H,3-6H2,1-2H3,(H,20,23)
InChIKeyGISUWYFKUKYENR-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.41
Rot. Bonds4

About N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 137377558) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID137377558
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1csc(C)n1
InChIInChI=1S/C18H20N4O3S/c1-11-19-16(10-26-11)18(23)20-15-7-12-9-22(13-3-5-25-6-4-13)21-14(12)8-17(15)24-2/h7-10,13H,3-6H2,1-2H3,(H,20,23)
InChIKeyGISUWYFKUKYENR-UHFFFAOYSA-N
XLogP3.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide 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-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 137377558) is N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide is COc1cc2nn(C3CCOCC3)cc2cc1NC(=O)c1csc(C)n1.
What is the InChIKey of N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GISUWYFKUKYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-19-16(10-26-11)18(23)20-15-7-12-9-22(13-3-5-25-6-4-13)21-14(12)8-17(15)24-2/h7-10,13H,3-6H2,1-2H3,(H,20,23).
What are the key properties of N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137377558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).