4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide

C16H14N4S — CID 81426601

IUPAC4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NCc2cccc3cccnc23)ccn1
InChIInChI=1S/C16H14N4S/c17-16(21)14-9-13(6-8-18-14)20-10-12-4-1-3-11-5-2-7-19-15(11)12/h1-9H,10H2,(H2,17,21)(H,18,20)
InChIKeyFGJYFCAGGYTCMG-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.88
Rot. Bonds4

About 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide

4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide (PubChem CID 81426601) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
PubChem CID81426601
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NCc2cccc3cccnc23)ccn1
InChIInChI=1S/C16H14N4S/c17-16(21)14-9-13(6-8-18-14)20-10-12-4-1-3-11-5-2-7-19-15(11)12/h1-9H,10H2,(H2,17,21)(H,18,20)
InChIKeyFGJYFCAGGYTCMG-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
N-(quinolin-8-ylmethyl)aniline
CID 28610045
6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
CID 81426768
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
4-(pyrimidin-4-ylmethylamino)pyridine-2-carbothioamide
CID 114111088
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
CID 147944302
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide (CID 81426601) is 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide is NC(=S)c1cc(NCc2cccc3cccnc23)ccn1.
What is the InChIKey of 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide?
The InChIKey is FGJYFCAGGYTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c17-16(21)14-9-13(6-8-18-14)20-10-12-4-1-3-11-5-2-7-19-15(11)12/h1-9H,10H2,(H2,17,21)(H,18,20).
What are the key properties of 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide?
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide has a molecular weight of 294.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 81426601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).