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

C21H22N4O2S2 — CID 25451049

IUPAC(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3sccc3C)c2)s1
InChIInChI=1S/C21H22N4O2S2/c1-13-9-11-28-18(13)21(27)25-10-4-3-8-17(25)19(26)22-16-7-5-6-15(12-16)20-24-23-14(2)29-20/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyGTTWTWXTZWRZLG-QGZVFWFLSA-N
MW426.57 g/mol
LogP4.52
Rot. Bonds4

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

(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 25451049) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID25451049
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC Name(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3sccc3C)c2)s1
InChIInChI=1S/C21H22N4O2S2/c1-13-9-11-28-18(13)21(27)25-10-4-3-8-17(25)19(26)22-16-7-5-6-15(12-16)20-24-23-14(2)29-20/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyGTTWTWXTZWRZLG-QGZVFWFLSA-N
XLogP4.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.52
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
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45252531
(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
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide
CID 91889062
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (CID 25451049) is (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3sccc3C)c2)s1.
What is the InChIKey of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is GTTWTWXTZWRZLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c1-13-9-11-28-18(13)21(27)25-10-4-3-8-17(25)19(26)22-16-7-5-6-15(12-16)20-24-23-14(2)29-20/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 25451049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).