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

C19H21N5OS2 — CID 97275260

IUPAC(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3Cc3cncs3)c2)s1
InChIInChI=1S/C19H21N5OS2/c1-13-22-23-19(27-13)14-5-4-6-15(9-14)21-18(25)17-7-2-3-8-24(17)11-16-10-20-12-26-16/h4-6,9-10,12,17H,2-3,7-8,11H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyNKRAGTOITZKRFE-QGZVFWFLSA-N
MW399.55 g/mol
LogP3.96
Rot. Bonds5

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

(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide (PubChem CID 97275260) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
PubChem CID97275260
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3Cc3cncs3)c2)s1
InChIInChI=1S/C19H21N5OS2/c1-13-22-23-19(27-13)14-5-4-6-15(9-14)21-18(25)17-7-2-3-8-24(17)11-16-10-20-12-26-16/h4-6,9-10,12,17H,2-3,7-8,11H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyNKRAGTOITZKRFE-QGZVFWFLSA-N
XLogP3.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-thiophen-2-ylpropanoyl)piperidine-2-carboxamide
CID 42458008
(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
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45252531
1-[2-(cyclohexen-1-yl)acetyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45201574
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-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide (CID 97275260) is (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide is Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3Cc3cncs3)c2)s1.
What is the InChIKey of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide?
The InChIKey is NKRAGTOITZKRFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-13-22-23-19(27-13)14-5-4-6-15(9-14)21-18(25)17-7-2-3-8-24(17)11-16-10-20-12-26-16/h4-6,9-10,12,17H,2-3,7-8,11H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide?
(2R)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide has a molecular weight of 399.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 97275260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).