2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C10H14N6S — CID 19101539

IUPAC2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CCc1nccs1)c1ncnc(N)n1
InChIInChI=1S/C10H14N6S/c1-2-16(5-3-8-12-4-6-17-8)10-14-7-13-9(11)15-10/h4,6-7H,2-3,5H2,1H3,(H2,11,13,14,15)
InChIKeyYWNHYJNKPQIHRJ-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.98
Rot. Bonds5

About 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19101539) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID19101539
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CCc1nccs1)c1ncnc(N)n1
InChIInChI=1S/C10H14N6S/c1-2-16(5-3-8-12-4-6-17-8)10-14-7-13-9(11)15-10/h4,6-7H,2-3,5H2,1H3,(H2,11,13,14,15)
InChIKeyYWNHYJNKPQIHRJ-UHFFFAOYSA-N
XLogP0.98
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 19101539) is 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCN(CCc1nccs1)c1ncnc(N)n1.
What is the InChIKey of 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YWNHYJNKPQIHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-2-16(5-3-8-12-4-6-17-8)10-14-7-13-9(11)15-10/h4,6-7H,2-3,5H2,1H3,(H2,11,13,14,15).
What are the key properties of 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 250.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19101539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).