3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide

C11H17N5OS — CID 62683926

IUPAC3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1NCCN1CCOCC1
InChIInChI=1S/C11H17N5OS/c12-10(18)9-11(14-2-1-13-9)15-3-4-16-5-7-17-8-6-16/h1-2H,3-8H2,(H2,12,18)(H,14,15)
InChIKeyQXOGRLYUPPULJL-UHFFFAOYSA-N
MW267.36 g/mol
LogP-0.15
Rot. Bonds5

About 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide

3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide (PubChem CID 62683926) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
PubChem CID62683926
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1NCCN1CCOCC1
InChIInChI=1S/C11H17N5OS/c12-10(18)9-11(14-2-1-13-9)15-3-4-16-5-7-17-8-6-16/h1-2H,3-8H2,(H2,12,18)(H,14,15)
InChIKeyQXOGRLYUPPULJL-UHFFFAOYSA-N
XLogP-0.15
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 5-0.15
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

3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
2,3-difluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 107934440
3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
CID 62684601
3-bromo-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 82803789
3-fluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 43657809
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide (CID 62683926) is 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide is NC(=S)c1nccnc1NCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide?
The InChIKey is QXOGRLYUPPULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c12-10(18)9-11(14-2-1-13-9)15-3-4-16-5-7-17-8-6-16/h1-2H,3-8H2,(H2,12,18)(H,14,15).
What are the key properties of 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide?
3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide has a molecular weight of 267.36 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 62683926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).