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

C13H12N4OS2 — CID 60606536

IUPACN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCSc1sc(NC(=O)c2n[nH]c3ccccc23)nc1C
InChIInChI=1S/C13H12N4OS2/c1-7-12(19-2)20-13(14-7)15-11(18)10-8-5-3-4-6-9(8)16-17-10/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyCSOWEQAQBUYWAW-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.30
Rot. Bonds3

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

N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 60606536) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID60606536
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCSc1sc(NC(=O)c2n[nH]c3ccccc23)nc1C
InChIInChI=1S/C13H12N4OS2/c1-7-12(19-2)20-13(14-7)15-11(18)10-8-5-3-4-6-9(8)16-17-10/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyCSOWEQAQBUYWAW-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (CID 60606536) is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is CSc1sc(NC(=O)c2n[nH]c3ccccc23)nc1C.
What is the InChIKey of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is CSOWEQAQBUYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-7-12(19-2)20-13(14-7)15-11(18)10-8-5-3-4-6-9(8)16-17-10/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60606536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).