2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide

C14H21N3OS — CID 63828659

IUPAC2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCOC2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-6-7-12(13(15)19)14(17-10)16-8-9-18-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyXIFQHACDUSPQIN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.40
Rot. Bonds6

About 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide

2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide (PubChem CID 63828659) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
PubChem CID63828659
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCCOC2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-6-7-12(13(15)19)14(17-10)16-8-9-18-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyXIFQHACDUSPQIN-UHFFFAOYSA-N
XLogP2.40
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
CID 55260122
6-methyl-2-(thian-2-ylmethylamino)pyridine-3-carbothioamide
CID 80600314
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
4-(2-cyclopentyloxyethylamino)-2-fluorobenzenecarbothioamide
CID 115368354
2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
CID 81297349
2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide
CID 63518548
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide
CID 105418066
6-chloro-2-(2-cyclopentyloxyethylamino)pyridine-3-carboxylic acid
CID 63827444
6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036160

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide (CID 63828659) is 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NCCOC2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide?
The InChIKey is XIFQHACDUSPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-6-7-12(13(15)19)14(17-10)16-8-9-18-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide?
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 63828659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).