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

C9H12N6OS — CID 80844454

IUPAC6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C9H12N6OS/c1-5(6-11-3-4-17-6)12-8-13-7(10)14-9(15-8)16-2/h3-5H,1-2H3,(H3,10,12,13,14,15)
InChIKeySAHQHKLLVFVUCO-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.09
Rot. Bonds4

About 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80844454) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80844454
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)c2nccs2)n1
InChIInChI=1S/C9H12N6OS/c1-5(6-11-3-4-17-6)12-8-13-7(10)14-9(15-8)16-2/h3-5H,1-2H3,(H3,10,12,13,14,15)
InChIKeySAHQHKLLVFVUCO-UHFFFAOYSA-N
XLogP1.09
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80825241
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80808269
2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844575
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80844454) is 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NC(C)c2nccs2)n1.
What is the InChIKey of 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SAHQHKLLVFVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-5(6-11-3-4-17-6)12-8-13-7(10)14-9(15-8)16-2/h3-5H,1-2H3,(H3,10,12,13,14,15).
What are the key properties of 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 252.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80844454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).