N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide

C14H13N3O2S — CID 1474928

IUPACN'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C14H13N3O2S/c1-8(18)15-16-13(19)12-7-10-9-5-3-4-6-11(9)17(2)14(10)20-12/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyCXHTWXWHAZQHTD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.17
Rot. Bonds1

About N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide

N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide (PubChem CID 1474928) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide
PubChem CID1474928
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C14H13N3O2S/c1-8(18)15-16-13(19)12-7-10-9-5-3-4-6-11(9)17(2)14(10)20-12/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyCXHTWXWHAZQHTD-UHFFFAOYSA-N
XLogP2.17
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide?
The IUPAC name of N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide (CID 1474928) is N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide?
The canonical SMILES for N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide is CC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1.
What is the InChIKey of N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide?
The InChIKey is CXHTWXWHAZQHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8(18)15-16-13(19)12-7-10-9-5-3-4-6-11(9)17(2)14(10)20-12/h3-7H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide?
N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-methylthieno[2,3-b]indole-2-carbohydrazide is sourced from PubChem (CID 1474928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).