2-methylquinoline-6-carbothioamide

C11H10N2S — CID 82574170

IUPAC2-methylquinoline-6-carbothioamide
SMILESCc1ccc2cc(C(N)=S)ccc2n1
InChIInChI=1S/C11H10N2S/c1-7-2-3-8-6-9(11(12)14)4-5-10(8)13-7/h2-6H,1H3,(H2,12,14)
InChIKeyBOJUJMQHOYWROK-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.18
Rot. Bonds1

About 2-methylquinoline-6-carbothioamide

2-methylquinoline-6-carbothioamide (PubChem CID 82574170) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methylquinoline-6-carbothioamide.

Molecular Properties

Compound Name2-methylquinoline-6-carbothioamide
PubChem CID82574170
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-methylquinoline-6-carbothioamide
SMILESCc1ccc2cc(C(N)=S)ccc2n1
InChIInChI=1S/C11H10N2S/c1-7-2-3-8-6-9(11(12)14)4-5-10(8)13-7/h2-6H,1H3,(H2,12,14)
InChIKeyBOJUJMQHOYWROK-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylquinoline-6-carbothioamide?
The IUPAC name of 2-methylquinoline-6-carbothioamide (CID 82574170) is 2-methylquinoline-6-carbothioamide.
What is the SMILES notation for 2-methylquinoline-6-carbothioamide?
The canonical SMILES for 2-methylquinoline-6-carbothioamide is Cc1ccc2cc(C(N)=S)ccc2n1.
What is the InChIKey of 2-methylquinoline-6-carbothioamide?
The InChIKey is BOJUJMQHOYWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-7-2-3-8-6-9(11(12)14)4-5-10(8)13-7/h2-6H,1H3,(H2,12,14).
What are the key properties of 2-methylquinoline-6-carbothioamide?
2-methylquinoline-6-carbothioamide has a molecular weight of 202.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylquinoline-6-carbothioamide is sourced from PubChem (CID 82574170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).