N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C10H14N6OS2 — CID 4882052

IUPACN-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CSc2n[nH]c(N)n2)cs1
InChIInChI=1S/C10H14N6OS2/c1-3-16(6(2)17)10-12-7(5-19-10)4-18-9-13-8(11)14-15-9/h5H,3-4H2,1-2H3,(H3,11,13,14,15)
InChIKeyJLRPAYKRUWOXDD-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.51
Rot. Bonds5

About N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 4882052) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID4882052
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC NameN-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CSc2n[nH]c(N)n2)cs1
InChIInChI=1S/C10H14N6OS2/c1-3-16(6(2)17)10-12-7(5-19-10)4-18-9-13-8(11)14-15-9/h5H,3-4H2,1-2H3,(H3,11,13,14,15)
InChIKeyJLRPAYKRUWOXDD-UHFFFAOYSA-N
XLogP1.51
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 4882052) is N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CSc2n[nH]c(N)n2)cs1.
What is the InChIKey of N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is JLRPAYKRUWOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-3-16(6(2)17)10-12-7(5-19-10)4-18-9-13-8(11)14-15-9/h5H,3-4H2,1-2H3,(H3,11,13,14,15).
What are the key properties of N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 298.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 4882052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).