5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

C19H25N5O2S — CID 37224819

IUPAC5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)C1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1
InChIInChI=1S/C19H25N5O2S/c1-13-3-5-14(6-4-13)11-21-18(26)19-23-22-16(27-19)12-24-9-7-15(8-10-24)17(25)20-2/h3-6,15H,7-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyRBPDXXLYKCBOIR-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.73
Rot. Bonds6

About 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 37224819) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID37224819
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)C1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1
InChIInChI=1S/C19H25N5O2S/c1-13-3-5-14(6-4-13)11-21-18(26)19-23-22-16(27-19)12-24-9-7-15(8-10-24)17(25)20-2/h3-6,15H,7-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyRBPDXXLYKCBOIR-UHFFFAOYSA-N
XLogP1.73
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 34944660
N-[(4-methylphenyl)methyl]-5-[[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 96522107
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 34944626
N-[(4-fluorophenyl)methyl]-5-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 34191557
5-(1,8-dioxa-4-azaspiro[5.5]undecan-4-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 138997250
5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 51126057
5-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810299
N-[(4-fluorophenyl)methyl]-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30869666
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
5-[[1-(2-chlorophenyl)ethylamino]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 42949752
N-[(4-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 55591818
5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 37224761

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 37224819) is 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNC(=O)C1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1.
What is the InChIKey of 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RBPDXXLYKCBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-3-5-14(6-4-13)11-21-18(26)19-23-22-16(27-19)12-24-9-7-15(8-10-24)17(25)20-2/h3-6,15H,7-12H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 37224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).