6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide

C13H17N3S — CID 64593935

IUPAC6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H17N3S/c14-13(17)11-2-1-3-12(15-11)16(10-6-7-10)8-9-4-5-9/h1-3,9-10H,4-8H2,(H2,14,17)
InChIKeyUKPDDLSJCXPIJS-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.09
Rot. Bonds5

About 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide

6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide (PubChem CID 64593935) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide
PubChem CID64593935
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H17N3S/c14-13(17)11-2-1-3-12(15-11)16(10-6-7-10)8-9-4-5-9/h1-3,9-10H,4-8H2,(H2,14,17)
InChIKeyUKPDDLSJCXPIJS-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide (CID 64593935) is 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide is NC(=S)c1cccc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide?
The InChIKey is UKPDDLSJCXPIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-13(17)11-2-1-3-12(15-11)16(10-6-7-10)8-9-4-5-9/h1-3,9-10H,4-8H2,(H2,14,17).
What are the key properties of 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide?
6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide has a molecular weight of 247.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64593935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).