2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide

C14H21N3OS — CID 114767464

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(CCO)C2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-8-11(14(15)19)9-13(16-10)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7H2,1H3,(H2,15,19)
InChIKeyWZBRLYVJCGRCMI-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.77
Rot. Bonds5

About 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide

2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767464) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767464
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(CCO)C2CCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-10-8-11(14(15)19)9-13(16-10)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7H2,1H3,(H2,15,19)
InChIKeyWZBRLYVJCGRCMI-UHFFFAOYSA-N
XLogP1.77
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767474
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide (CID 114767464) is 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N(CCO)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is WZBRLYVJCGRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-8-11(14(15)19)9-13(16-10)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7H2,1H3,(H2,15,19).
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide?
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).