N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide

C15H19N3OS — CID 91831463

IUPACN,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2ccccc12)C1CCSCC1
InChIInChI=1S/C15H19N3OS/c1-17(11-7-9-20-10-8-11)15(19)14-12-5-3-4-6-13(12)18(2)16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMSLXFAAZISFQRM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.54
Rot. Bonds2

About N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide

N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide (PubChem CID 91831463) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide
PubChem CID91831463
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2ccccc12)C1CCSCC1
InChIInChI=1S/C15H19N3OS/c1-17(11-7-9-20-10-8-11)15(19)14-12-5-3-4-6-13(12)18(2)16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMSLXFAAZISFQRM-UHFFFAOYSA-N
XLogP2.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide (CID 91831463) is N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide is CN(C(=O)c1nn(C)c2ccccc12)C1CCSCC1.
What is the InChIKey of N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide?
The InChIKey is MSLXFAAZISFQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-17(11-7-9-20-10-8-11)15(19)14-12-5-3-4-6-13(12)18(2)16-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide?
N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 91831463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).