2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide

C14H16N2OS — CID 82574267

IUPAC2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
SMILESCc1cc(C(N)=S)c2cccc(OC(C)C)c2n1
InChIInChI=1S/C14H16N2OS/c1-8(2)17-12-6-4-5-10-11(14(15)18)7-9(3)16-13(10)12/h4-8H,1-3H3,(H2,15,18)
InChIKeyRKKJYPCHCHJPLT-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide

2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide (PubChem CID 82574267) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
PubChem CID82574267
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
SMILESCc1cc(C(N)=S)c2cccc(OC(C)C)c2n1
InChIInChI=1S/C14H16N2OS/c1-8(2)17-12-6-4-5-10-11(14(15)18)7-9(3)16-13(10)12/h4-8H,1-3H3,(H2,15,18)
InChIKeyRKKJYPCHCHJPLT-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-propan-2-yloxyquinoline-2-carbothioamide
CID 82244280
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
1-(4-methyl-8-propan-2-yloxyquinolin-2-yl)ethanol
CID 82575997
2-propan-2-yloxyquinoline-4-carbothioamide
CID 63886477
2,4-dichloro-8-propan-2-yloxyquinoline
CID 82581120
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
2-methoxy-6-(4-methyl-8-propan-2-yloxyquinolin-2-yl)phenol
CID 169410777
methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
CID 82575130
5-fluoro-4-methyl-2-propan-2-yloxybenzenecarbothioamide
CID 22955942
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide?
The IUPAC name of 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide (CID 82574267) is 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide.
What is the SMILES notation for 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide?
The canonical SMILES for 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide is Cc1cc(C(N)=S)c2cccc(OC(C)C)c2n1.
What is the InChIKey of 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide?
The InChIKey is RKKJYPCHCHJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8(2)17-12-6-4-5-10-11(14(15)18)7-9(3)16-13(10)12/h4-8H,1-3H3,(H2,15,18).
What are the key properties of 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide?
2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide has a molecular weight of 260.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide is sourced from PubChem (CID 82574267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).