4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide

C15H19N3S — CID 43669634

IUPAC4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
SMILESCCN(c1c(C(N)=S)cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3S/c1-4-18(10(2)3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)19/h5-10H,4H2,1-3H3,(H2,16,19)
InChIKeyPMYOACXLVXCPFP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.10
Rot. Bonds4

About 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide

4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide (PubChem CID 43669634) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
PubChem CID43669634
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
SMILESCCN(c1c(C(N)=S)cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3S/c1-4-18(10(2)3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)19/h5-10H,4H2,1-3H3,(H2,16,19)
InChIKeyPMYOACXLVXCPFP-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.10
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

4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
CID 43669639
4-(butan-2-ylamino)quinoline-3-carbothioamide
CID 43669556
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117
4-[methyl(thiophen-3-ylmethyl)amino]quinoline-3-carbothioamide
CID 43669662
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide (CID 43669634) is 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide is CCN(c1c(C(N)=S)cnc2ccccc12)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide?
The InChIKey is PMYOACXLVXCPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-18(10(2)3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)19/h5-10H,4H2,1-3H3,(H2,16,19).
What are the key properties of 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide?
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide has a molecular weight of 273.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide is sourced from PubChem (CID 43669634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).