[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone

C20H16N4OS — CID 10926489

IUPAC[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1-n1cncn1
InChIInChI=1S/C20H16N4OS/c1-14-17(24-13-21-12-22-24)20(23-16-10-6-3-7-11-16)26-19(14)18(25)15-8-4-2-5-9-15/h2-13,23H,1H3
InChIKeyRLQOHOABZVOOEU-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.61
Rot. Bonds5

About [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone

[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone (PubChem CID 10926489) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone
PubChem CID10926489
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1-n1cncn1
InChIInChI=1S/C20H16N4OS/c1-14-17(24-13-21-12-22-24)20(23-16-10-6-3-7-11-16)26-19(14)18(25)15-8-4-2-5-9-15/h2-13,23H,1H3
InChIKeyRLQOHOABZVOOEU-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-5-(4-tert-butylbenzoyl)-4-methylthiophene-3-carbonitrile
CID 3319662
ethyl 2-anilino-4-methyl-5-(4-phenylbenzoyl)thiophene-3-carboxylate
CID 2324637
(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
CID 15414607
2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile
CID 72696542
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
[2-anilino-4-(diethoxymethyl)-1,3-thiazol-5-yl]-phenylmethanone
CID 10762465
4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
CID 2380326
4-amino-2-anilino-5-benzoyl-N-[4-(dimethylamino)phenyl]thiophene-3-carboxamide
CID 170995344
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
[3-amino-5-anilino-4-(piperazine-1-carbonyl)thiophen-2-yl]-(4-chlorophenyl)methanone;[3-amino-5-anilino-4-(piperazine-1-carbonyl)thiophen-2-yl]-phenylmethanone
CID 70298405

Frequently Asked Questions

What is the IUPAC name of [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone (CID 10926489) is [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone is Cc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1-n1cncn1.
What is the InChIKey of [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone?
The InChIKey is RLQOHOABZVOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-17(24-13-21-12-22-24)20(23-16-10-6-3-7-11-16)26-19(14)18(25)15-8-4-2-5-9-15/h2-13,23H,1H3.
What are the key properties of [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone?
[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone has a molecular weight of 360.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 10926489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).