4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide

C10H16N6O2S — CID 110178408

IUPAC4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
SMILESNC(=S)c1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C10H16N6O2S/c11-7(19)8-13-9(12-1-4-17)15-10(14-8)16-2-5-18-6-3-16/h17H,1-6H2,(H2,11,19)(H,12,13,14,15)
InChIKeyHVMMJDVVEGLJQL-UHFFFAOYSA-N
MW284.35 g/mol
LogP-1.25
Rot. Bonds5

About 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide

4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide (PubChem CID 110178408) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
PubChem CID110178408
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
SMILESNC(=S)c1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C10H16N6O2S/c11-7(19)8-13-9(12-1-4-17)15-10(14-8)16-2-5-18-6-3-16/h17H,1-6H2,(H2,11,19)(H,12,13,14,15)
InChIKeyHVMMJDVVEGLJQL-UHFFFAOYSA-N
XLogP-1.25
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311808
2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 5112726
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 136821405
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
4-hydrazinyl-N-(3-methylbutyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931558
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
ethyl (3S)-3-[[4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
CID 42584005
ethyl 3-[[4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
CID 3877386

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide?
The IUPAC name of 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide (CID 110178408) is 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide.
What is the SMILES notation for 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide?
The canonical SMILES for 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide is NC(=S)c1nc(NCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide?
The InChIKey is HVMMJDVVEGLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c11-7(19)8-13-9(12-1-4-17)15-10(14-8)16-2-5-18-6-3-16/h17H,1-6H2,(H2,11,19)(H,12,13,14,15).
What are the key properties of 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide?
4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide has a molecular weight of 284.35 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide is sourced from PubChem (CID 110178408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).