5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide

C12H15N5S — CID 103007115

IUPAC5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
SMILESCn1nccc1CCNc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H15N5S/c1-17-10(5-7-16-17)4-6-14-9-2-3-11(12(13)18)15-8-9/h2-3,5,7-8,14H,4,6H2,1H3,(H2,13,18)
InChIKeyLRWUJHXHLMWQJD-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.10
Rot. Bonds5

About 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide

5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide (PubChem CID 103007115) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
PubChem CID103007115
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
SMILESCn1nccc1CCNc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H15N5S/c1-17-10(5-7-16-17)4-6-14-9-2-3-11(12(13)18)15-8-9/h2-3,5,7-8,14H,4,6H2,1H3,(H2,13,18)
InChIKeyLRWUJHXHLMWQJD-UHFFFAOYSA-N
XLogP1.10
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 113320995
5-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011437
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 107789369
N-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazine-3-carboxamide
CID 104696061
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 107277802

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide (CID 103007115) is 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide is Cn1nccc1CCNc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide?
The InChIKey is LRWUJHXHLMWQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-17-10(5-7-16-17)4-6-14-9-2-3-11(12(13)18)15-8-9/h2-3,5,7-8,14H,4,6H2,1H3,(H2,13,18).
What are the key properties of 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide?
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide has a molecular weight of 261.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 103007115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).