6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide

C12H17N3S — CID 114546660

IUPAC6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
SMILESCC1CCC(Nc2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C12H17N3S/c1-8-2-4-10(6-8)15-11-5-3-9(7-14-11)12(13)16/h3,5,7-8,10H,2,4,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyRQZJOUPLOFQJDG-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.32
Rot. Bonds3

About 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide

6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide (PubChem CID 114546660) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
PubChem CID114546660
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
SMILESCC1CCC(Nc2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C12H17N3S/c1-8-2-4-10(6-8)15-11-5-3-9(7-14-11)12(13)16/h3,5,7-8,10H,2,4,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyRQZJOUPLOFQJDG-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060
2-[(3-methylcyclohexyl)amino]pyridine-4-carbothioamide
CID 43370621
5-N,5-N-dimethyl-2-N-(3-methylcyclopentyl)pyridine-2,5-diamine
CID 115735855
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
6-(dicyclopropylmethylamino)pyridine-3-carbothioamide
CID 54958533
ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
CID 64742881
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-3-carbothioamide
CID 24709236
6-[(3-phenylcyclopentyl)amino]pyridine-3-carboxamide
CID 126962294

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide (CID 114546660) is 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide is CC1CCC(Nc2ccc(C(N)=S)cn2)C1.
What is the InChIKey of 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide?
The InChIKey is RQZJOUPLOFQJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-2-4-10(6-8)15-11-5-3-9(7-14-11)12(13)16/h3,5,7-8,10H,2,4,6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide?
6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 114546660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).