4-(piperidin-1-ylamino)pyridine-2-carbothioamide

C11H16N4S — CID 83017001

IUPAC4-(piperidin-1-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NN2CCCCC2)ccn1
InChIInChI=1S/C11H16N4S/c12-11(16)10-8-9(4-5-13-10)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,14)
InChIKeyRNKKSZSORHHHSU-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.53
Rot. Bonds3

About 4-(piperidin-1-ylamino)pyridine-2-carbothioamide

4-(piperidin-1-ylamino)pyridine-2-carbothioamide (PubChem CID 83017001) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(piperidin-1-ylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(piperidin-1-ylamino)pyridine-2-carbothioamide
PubChem CID83017001
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-(piperidin-1-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NN2CCCCC2)ccn1
InChIInChI=1S/C11H16N4S/c12-11(16)10-8-9(4-5-13-10)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,14)
InChIKeyRNKKSZSORHHHSU-UHFFFAOYSA-N
XLogP1.53
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(piperidin-1-ylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(piperidin-1-ylamino)pyridine-2-carbothioamide (CID 83017001) is 4-(piperidin-1-ylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(piperidin-1-ylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(piperidin-1-ylamino)pyridine-2-carbothioamide is NC(=S)c1cc(NN2CCCCC2)ccn1.
What is the InChIKey of 4-(piperidin-1-ylamino)pyridine-2-carbothioamide?
The InChIKey is RNKKSZSORHHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c12-11(16)10-8-9(4-5-13-10)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,14).
What are the key properties of 4-(piperidin-1-ylamino)pyridine-2-carbothioamide?
4-(piperidin-1-ylamino)pyridine-2-carbothioamide has a molecular weight of 236.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 83017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).