5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide

C12H15N5OS — CID 115488387

IUPAC5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide
SMILESCOCCn1cc(Nc2ccc(C(N)=S)nc2)cn1
InChIInChI=1S/C12H15N5OS/c1-18-5-4-17-8-10(7-15-17)16-9-2-3-11(12(13)19)14-6-9/h2-3,6-8,16H,4-5H2,1H3,(H2,13,19)
InChIKeyYYMXKNBCPCUNTF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.30
Rot. Bonds6

About 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide

5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide (PubChem CID 115488387) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide
PubChem CID115488387
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide
SMILESCOCCn1cc(Nc2ccc(C(N)=S)nc2)cn1
InChIInChI=1S/C12H15N5OS/c1-18-5-4-17-8-10(7-15-17)16-9-2-3-11(12(13)19)14-6-9/h2-3,6-8,16H,4-5H2,1H3,(H2,13,19)
InChIKeyYYMXKNBCPCUNTF-UHFFFAOYSA-N
XLogP1.30
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzenecarbothioamide
CID 115368097
3-bromo-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzenecarbothioamide
CID 82805280
5-(3,4-dimethoxyanilino)pyridine-2-carbothioamide
CID 115488099
5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
CID 114112956
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767
1-butyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 113226469
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267633

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide (CID 115488387) is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide is COCCn1cc(Nc2ccc(C(N)=S)nc2)cn1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide?
The InChIKey is YYMXKNBCPCUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-18-5-4-17-8-10(7-15-17)16-9-2-3-11(12(13)19)14-6-9/h2-3,6-8,16H,4-5H2,1H3,(H2,13,19).
What are the key properties of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide?
5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide has a molecular weight of 277.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).