N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

C13H14N4O2S2 — CID 1258496

IUPACN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)c2cccs2)n1
InChIInChI=1S/C13H14N4O2S2/c1-8-6-9(2)15-13(14-8)21-7-11(18)16-17-12(19)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRKGSUTKGNBEYOO-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.71
Rot. Bonds4

About N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 1258496) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID1258496
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)c2cccs2)n1
InChIInChI=1S/C13H14N4O2S2/c1-8-6-9(2)15-13(14-8)21-7-11(18)16-17-12(19)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRKGSUTKGNBEYOO-UHFFFAOYSA-N
XLogP1.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (CID 1258496) is N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is Cc1cc(C)nc(SCC(=O)NNC(=O)c2cccs2)n1.
What is the InChIKey of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is RKGSUTKGNBEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-8-6-9(2)15-13(14-8)21-7-11(18)16-17-12(19)10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 322.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 1258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).