N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide

C18H16N4O2S — CID 26120032

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)n1
InChIInChI=1S/C18H16N4O2S/c1-10-7-11(2)20-18(19-10)22-21-17(23)15-8-12-9-24-14-6-4-3-5-13(14)16(12)25-15/h3-8H,9H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyUPQTZYICOLICMD-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.47
Rot. Bonds3

About N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide (PubChem CID 26120032) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
PubChem CID26120032
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)n1
InChIInChI=1S/C18H16N4O2S/c1-10-7-11(2)20-18(19-10)22-21-17(23)15-8-12-9-24-14-6-4-3-5-13(14)16(12)25-15/h3-8H,9H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyUPQTZYICOLICMD-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.47
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'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide (CID 26120032) is N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide is Cc1cc(C)nc(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The InChIKey is UPQTZYICOLICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-7-11(2)20-18(19-10)22-21-17(23)15-8-12-9-24-14-6-4-3-5-13(14)16(12)25-15/h3-8H,9H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide has a molecular weight of 352.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide is sourced from PubChem (CID 26120032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).