1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine

C20H20N4O2S — CID 174990905

IUPAC1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine
SMILESCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.Nc1nncs1
InChIInChI=1S/C18H17NO2.C2H3N3S/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19;3-2-5-4-1-6-2/h5-10H,4H2,1-3H3;1H,(H2,3,5)
InChIKeyITMNRGHOVYEKCV-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds3

About 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine

1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine (PubChem CID 174990905) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine
PubChem CID174990905
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine
SMILESCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.Nc1nncs1
InChIInChI=1S/C18H17NO2.C2H3N3S/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19;3-2-5-4-1-6-2/h5-10H,4H2,1-3H3;1H,(H2,3,5)
InChIKeyITMNRGHOVYEKCV-UHFFFAOYSA-N
XLogP4.34
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
CID 91317353
(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915293
1-[9-ethyl-6-(4-fluoro-2-methylbenzoyl)carbazol-3-yl]ethanone
CID 59012247
1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
CID 58544922
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone
CID 130181656
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
CID 59331093
9-ethylcarbazole-3-carboxylate
CID 7148416
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine?
The IUPAC name of 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine (CID 174990905) is 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine?
The canonical SMILES for 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine is CCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.Nc1nncs1.
What is the InChIKey of 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine?
The InChIKey is ITMNRGHOVYEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C2H3N3S/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19;3-2-5-4-1-6-2/h5-10H,4H2,1-3H3;1H,(H2,3,5).
What are the key properties of 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine?
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine has a molecular weight of 380.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 174990905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).