2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine

C10H14N6S2 — CID 80885759

IUPAC2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccs2)n1
InChIInChI=1S/C10H14N6S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3,(H2,11,13,14,15)
InChIKeyRCKFLSBGGUZSHS-UHFFFAOYSA-N
MW282.40 g/mol
LogP1.91
Rot. Bonds5

About 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80885759) has the molecular formula C10H14N6S2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID80885759
Molecular FormulaC10H14N6S2
Molecular Weight282.40 g/mol
Exact Mass282.07
IUPAC Name2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccs2)n1
InChIInChI=1S/C10H14N6S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3,(H2,11,13,14,15)
InChIKeyRCKFLSBGGUZSHS-UHFFFAOYSA-N
XLogP1.91
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80887073
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 102927066
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80888786
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798231
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 107552301
4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 62867560
2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 107766044

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 80885759) is 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2nccs2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RCKFLSBGGUZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3,(H2,11,13,14,15).
What are the key properties of 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 282.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80885759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).