1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

C22H24N4O3S — CID 45252531

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCCC2C(=O)Nc2cccc(-c3nnc(C)s3)c2)c(C)o1
InChIInChI=1S/C22H24N4O3S/c1-13-11-18(14(2)29-13)22(28)26-10-5-4-9-19(26)20(27)23-17-8-6-7-16(12-17)21-25-24-15(3)30-21/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,23,27)
InChIKeyWGLBKPHUYIKXKU-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (PubChem CID 45252531) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
PubChem CID45252531
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCCC2C(=O)Nc2cccc(-c3nnc(C)s3)c2)c(C)o1
InChIInChI=1S/C22H24N4O3S/c1-13-11-18(14(2)29-13)22(28)26-10-5-4-9-19(26)20(27)23-17-8-6-7-16(12-17)21-25-24-15(3)30-21/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,23,27)
InChIKeyWGLBKPHUYIKXKU-UHFFFAOYSA-N
XLogP4.36
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45208616
(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 25280887
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 25451049
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
CID 42458008
1-[2-(cyclohexen-1-yl)acetyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45201574
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
CID 97275260
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 77264898
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (CID 45252531) is 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is Cc1cc(C(=O)N2CCCCC2C(=O)Nc2cccc(-c3nnc(C)s3)c2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is WGLBKPHUYIKXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13-11-18(14(2)29-13)22(28)26-10-5-4-9-19(26)20(27)23-17-8-6-7-16(12-17)21-25-24-15(3)30-21/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,23,27).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 45252531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).