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

C15H19N3O2S — CID 75535689

IUPACN,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)C3CCS(=O)CC3)c2c1
InChIInChI=1S/C15H19N3O2S/c1-10-3-4-13-12(9-10)14(17-16-13)15(19)18(2)11-5-7-21(20)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)
InChIKeyKFUIPXQOXXFUIJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.85
Rot. Bonds2

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

N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide (PubChem CID 75535689) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide
PubChem CID75535689
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)C3CCS(=O)CC3)c2c1
InChIInChI=1S/C15H19N3O2S/c1-10-3-4-13-12(9-10)14(17-16-13)15(19)18(2)11-5-7-21(20)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)
InChIKeyKFUIPXQOXXFUIJ-UHFFFAOYSA-N
XLogP1.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-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

N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
CID 86852999
5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67274033
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide
CID 54944805
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11630786
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866028
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78867975
N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78865955
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 56703447

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide (CID 75535689) is N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N(C)C3CCS(=O)CC3)c2c1.
What is the InChIKey of N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is KFUIPXQOXXFUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-3-4-13-12(9-10)14(17-16-13)15(19)18(2)11-5-7-21(20)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide?
N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1-oxothian-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 75535689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).