8-ethyl-2-propan-2-ylquinoline-4-carbothioamide

C15H18N2S — CID 82447982

IUPAC8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
SMILESCCc1cccc2c(C(N)=S)cc(C(C)C)nc12
InChIInChI=1S/C15H18N2S/c1-4-10-6-5-7-11-12(15(16)18)8-13(9(2)3)17-14(10)11/h5-9H,4H2,1-3H3,(H2,16,18)
InChIKeyXEHLCBZKMOAJAL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.55
Rot. Bonds3

About 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide

8-ethyl-2-propan-2-ylquinoline-4-carbothioamide (PubChem CID 82447982) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide.

Molecular Properties

Compound Name8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
PubChem CID82447982
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
SMILESCCc1cccc2c(C(N)=S)cc(C(C)C)nc12
InChIInChI=1S/C15H18N2S/c1-4-10-6-5-7-11-12(15(16)18)8-13(9(2)3)17-14(10)11/h5-9H,4H2,1-3H3,(H2,16,18)
InChIKeyXEHLCBZKMOAJAL-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.55
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

1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
CID 136576079
2,6-di(propan-2-yl)quinoline-4-carbothioamide
CID 82448365
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
6-methyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82448167
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
N-ethyl-2-propan-2-yl-8-propylquinolin-4-amine
CID 63484564
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
CID 82574267
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide?
The IUPAC name of 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide (CID 82447982) is 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide.
What is the SMILES notation for 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide?
The canonical SMILES for 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide is CCc1cccc2c(C(N)=S)cc(C(C)C)nc12.
What is the InChIKey of 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide?
The InChIKey is XEHLCBZKMOAJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-4-10-6-5-7-11-12(15(16)18)8-13(9(2)3)17-14(10)11/h5-9H,4H2,1-3H3,(H2,16,18).
What are the key properties of 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide?
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide has a molecular weight of 258.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-propan-2-ylquinoline-4-carbothioamide is sourced from PubChem (CID 82447982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).