6-methyl-2-propan-2-ylquinoline-4-carbothioamide

C14H16N2S — CID 82448167

IUPAC6-methyl-2-propan-2-ylquinoline-4-carbothioamide
SMILESCc1ccc2nc(C(C)C)cc(C(N)=S)c2c1
InChIInChI=1S/C14H16N2S/c1-8(2)13-7-11(14(15)17)10-6-9(3)4-5-12(10)16-13/h4-8H,1-3H3,(H2,15,17)
InChIKeyDCLIXSXGDNEKIY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-2-propan-2-ylquinoline-4-carbothioamide

6-methyl-2-propan-2-ylquinoline-4-carbothioamide (PubChem CID 82448167) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylquinoline-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylquinoline-4-carbothioamide
PubChem CID82448167
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-methyl-2-propan-2-ylquinoline-4-carbothioamide
SMILESCc1ccc2nc(C(C)C)cc(C(N)=S)c2c1
InChIInChI=1S/C14H16N2S/c1-8(2)13-7-11(14(15)17)10-6-9(3)4-5-12(10)16-13/h4-8H,1-3H3,(H2,15,17)
InChIKeyDCLIXSXGDNEKIY-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)quinoline-4-carbothioamide
CID 82448365
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207
N,6-dimethyl-2-propan-2-ylquinolin-4-amine
CID 62202007
N-methyl-1-(6-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82448157
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
CID 89488507
(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
7-methyl-2-propan-2-ylquinoline
CID 83527005
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide
CID 82574279
6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide
CID 82448767

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-ylquinoline-4-carbothioamide?
The IUPAC name of 6-methyl-2-propan-2-ylquinoline-4-carbothioamide (CID 82448167) is 6-methyl-2-propan-2-ylquinoline-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-propan-2-ylquinoline-4-carbothioamide?
The canonical SMILES for 6-methyl-2-propan-2-ylquinoline-4-carbothioamide is Cc1ccc2nc(C(C)C)cc(C(N)=S)c2c1.
What is the InChIKey of 6-methyl-2-propan-2-ylquinoline-4-carbothioamide?
The InChIKey is DCLIXSXGDNEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-8(2)13-7-11(14(15)17)10-6-9(3)4-5-12(10)16-13/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 6-methyl-2-propan-2-ylquinoline-4-carbothioamide?
6-methyl-2-propan-2-ylquinoline-4-carbothioamide has a molecular weight of 244.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylquinoline-4-carbothioamide is sourced from PubChem (CID 82448167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).