5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H17N5S — CID 65035711

IUPAC5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)c2nncn2C)SC1
InChIInChI=1S/C10H17N5S/c1-7-4-11-10(16-5-7)13-8(2)9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyHIHLVGHUGDKSII-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.20
Rot. Bonds2

About 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035711) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035711
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)c2nncn2C)SC1
InChIInChI=1S/C10H17N5S/c1-7-4-11-10(16-5-7)13-8(2)9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyHIHLVGHUGDKSII-UHFFFAOYSA-N
XLogP1.20
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035711) is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC(C)c2nncn2C)SC1.
What is the InChIKey of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HIHLVGHUGDKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-7-4-11-10(16-5-7)13-8(2)9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 239.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).