N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide

C16H14N4OS — CID 1482584

IUPACN-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide
SMILESCc1ccc2cn[nH]c2c1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H14N4OS/c1-10-7-8-12-9-17-20-14(12)13(10)18-16(22)19-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyIBZCFZMOXJMNFJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.00
Rot. Bonds2

About N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide

N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide (PubChem CID 1482584) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide
PubChem CID1482584
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide
SMILESCc1ccc2cn[nH]c2c1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H14N4OS/c1-10-7-8-12-9-17-20-14(12)13(10)18-16(22)19-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyIBZCFZMOXJMNFJ-UHFFFAOYSA-N
XLogP3.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide (CID 1482584) is N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide is Cc1ccc2cn[nH]c2c1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide?
The InChIKey is IBZCFZMOXJMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-7-8-12-9-17-20-14(12)13(10)18-16(22)19-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide?
N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide has a molecular weight of 310.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide is sourced from PubChem (CID 1482584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).