5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde

C18H18N4OS — CID 174989730

IUPAC5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde
SMILESCCc1nnc(N)s1.Cn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO.C4H7N3S/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;1-2-3-6-7-4(5)8-3/h2-9H,1H3;2H2,1H3,(H2,5,7)
InChIKeyZKUPNHRFIGIMQJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.83
Rot. Bonds2

About 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde

5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde (PubChem CID 174989730) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde
PubChem CID174989730
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde
SMILESCCc1nnc(N)s1.Cn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C14H11NO.C4H7N3S/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;1-2-3-6-7-4(5)8-3/h2-9H,1H3;2H2,1H3,(H2,5,7)
InChIKeyZKUPNHRFIGIMQJ-UHFFFAOYSA-N
XLogP3.83
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde?
The IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde (CID 174989730) is 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde?
The canonical SMILES for 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde is CCc1nnc(N)s1.Cn1c2ccccc2c2cc(C=O)ccc21.
What is the InChIKey of 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde?
The InChIKey is ZKUPNHRFIGIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C4H7N3S/c1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;1-2-3-6-7-4(5)8-3/h2-9H,1H3;2H2,1H3,(H2,5,7).
What are the key properties of 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde?
5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde has a molecular weight of 338.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4-thiadiazol-2-amine;9-methylcarbazole-3-carbaldehyde is sourced from PubChem (CID 174989730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).