6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide

C14H17N3S2 — CID 64589255

IUPAC6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
SMILESCC(C)N(Cc1cccs1)c1cccc(C(N)=S)n1
InChIInChI=1S/C14H17N3S2/c1-10(2)17(9-11-5-4-8-19-11)13-7-3-6-12(16-13)14(15)18/h3-8,10H,9H2,1-2H3,(H2,15,18)
InChIKeyRZICTMOANHTIHE-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.19
Rot. Bonds5

About 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide

6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide (PubChem CID 64589255) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
PubChem CID64589255
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
SMILESCC(C)N(Cc1cccs1)c1cccc(C(N)=S)n1
InChIInChI=1S/C14H17N3S2/c1-10(2)17(9-11-5-4-8-19-11)13-7-3-6-12(16-13)14(15)18/h3-8,10H,9H2,1-2H3,(H2,15,18)
InChIKeyRZICTMOANHTIHE-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
CID 64589022
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide
CID 103189001
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634233
5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634373
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
2-hydrazinyl-6-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896289

Frequently Asked Questions

What is the IUPAC name of 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide (CID 64589255) is 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide is CC(C)N(Cc1cccs1)c1cccc(C(N)=S)n1.
What is the InChIKey of 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide?
The InChIKey is RZICTMOANHTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-10(2)17(9-11-5-4-8-19-11)13-7-3-6-12(16-13)14(15)18/h3-8,10H,9H2,1-2H3,(H2,15,18).
What are the key properties of 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide?
6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).