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

C27H33N5O2S — CID 46329961

IUPACN-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c2)s1
InChIInChI=1S/C27H33N5O2S/c1-3-5-24-30-31-27(35-24)26(34)29-23-7-4-6-22(16-23)25(33)28-17-20-12-14-32(15-13-20)18-21-10-8-19(2)9-11-21/h4,6-11,16,20H,3,5,12-15,17-18H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyUGYWRNHPGKIKNM-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.69
Rot. Bonds9

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

N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46329961) has the molecular formula C27H33N5O2S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46329961
Molecular FormulaC27H33N5O2S
Molecular Weight491.66 g/mol
Exact Mass491.24
IUPAC NameN-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c2)s1
InChIInChI=1S/C27H33N5O2S/c1-3-5-24-30-31-27(35-24)26(34)29-23-7-4-6-22(16-23)25(33)28-17-20-12-14-32(15-13-20)18-21-10-8-19(2)9-11-21/h4,6-11,16,20H,3,5,12-15,17-18H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyUGYWRNHPGKIKNM-UHFFFAOYSA-N
XLogP4.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

5-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353976
N-[3-[3-[(3R)-3-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 92871070
N-[3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46329931
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 92871066
5-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810299
5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329782
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810335
5-ethyl-N-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329784
5-[(4-fluorophenoxy)methyl]-N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332434
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332472

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide (CID 46329961) is N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide is CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c2)s1.
What is the InChIKey of N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UGYWRNHPGKIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2S/c1-3-5-24-30-31-27(35-24)26(34)29-23-7-4-6-22(16-23)25(33)28-17-20-12-14-32(15-13-20)18-21-10-8-19(2)9-11-21/h4,6-11,16,20H,3,5,12-15,17-18H2,1-2H3,(H,28,33)(H,29,34).
What are the key properties of N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 491.66 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46329961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).