6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide

C12H17N3S — CID 43267331

IUPAC6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
SMILESCN(c1ccc(C(N)=S)cn1)C1CCCC1
InChIInChI=1S/C12H17N3S/c1-15(10-4-2-3-5-10)11-7-6-9(8-14-11)12(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16)
InChIKeyHDKDZFPHVJNTNY-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.09
Rot. Bonds3

About 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide

6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide (PubChem CID 43267331) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
PubChem CID43267331
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
SMILESCN(c1ccc(C(N)=S)cn1)C1CCCC1
InChIInChI=1S/C12H17N3S/c1-15(10-4-2-3-5-10)11-7-6-9(8-14-11)12(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16)
InChIKeyHDKDZFPHVJNTNY-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
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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Related Compounds

2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
4-(Propan-2-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 971075
4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CID 757582
N-2-Propen-1-yl-N'-2-pyridinylthiourea
CID 1549591
1-(3-Methylphenyl)-3-(2-pyridinyl)thiourea
CID 2730970
11-Cyclopropyldipyrido[2,3-b:3',2'-f]azepine
CID 470618

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide (CID 43267331) is 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide is CN(c1ccc(C(N)=S)cn1)C1CCCC1.
What is the InChIKey of 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide?
The InChIKey is HDKDZFPHVJNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-15(10-4-2-3-5-10)11-7-6-9(8-14-11)12(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16).
What are the key properties of 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide?
6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 43267331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).