2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide

C14H14N4OS — CID 169359188

IUPAC2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(N)=S)n1
InChIInChI=1S/C14H14N4OS/c1-9-5-4-8-12(16-9)18-13(19)10-6-2-3-7-11(10)17-14(15)20/h2-8H,1H3,(H3,15,17,20)(H,16,18,19)
InChIKeyLAUUOCORNSUYNK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.30
Rot. Bonds3

About 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide

2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 169359188) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID169359188
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(N)=S)n1
InChIInChI=1S/C14H14N4OS/c1-9-5-4-8-12(16-9)18-13(19)10-6-2-3-7-11(10)17-14(15)20/h2-8H,1H3,(H3,15,17,20)(H,16,18,19)
InChIKeyLAUUOCORNSUYNK-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.30
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 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide (CID 169359188) is 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(N)=S)n1.
What is the InChIKey of 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is LAUUOCORNSUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-5-4-8-12(16-9)18-13(19)10-6-2-3-7-11(10)17-14(15)20/h2-8H,1H3,(H3,15,17,20)(H,16,18,19).
What are the key properties of 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide?
2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 169359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).