N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide

C23H24N4O3S — CID 46332619

IUPACN-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1
InChIInChI=1S/C23H24N4O3S/c28-21(24-17-7-3-1-4-8-17)16-11-13-18(14-12-16)25-22(29)23-27-26-20(31-23)15-30-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2,(H,24,28)(H,25,29)
InChIKeyJLDQOLXGKBTEBQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.43
Rot. Bonds7

About N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide

N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46332619) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID46332619
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1
InChIInChI=1S/C23H24N4O3S/c28-21(24-17-7-3-1-4-8-17)16-11-13-18(14-12-16)25-22(29)23-27-26-20(31-23)15-30-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2,(H,24,28)(H,25,29)
InChIKeyJLDQOLXGKBTEBQ-UHFFFAOYSA-N
XLogP4.43
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(cyclopropylcarbamoyl)phenoxy]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376660
N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332457
N-[4-(cyclopropylcarbamoyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332757
N-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332586
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
5-(phenoxymethyl)-N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332642
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
4-benzamido-N-cyclopentylbenzamide
CID 1262350
5-[(4-chlorophenoxy)methyl]-N-[4-(3-phenylpropylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332552
5-N-cycloheptyl-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353630
5-[[2-(cyclopentylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319914
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332729

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide (CID 46332619) is N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NC1CCCCC1)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JLDQOLXGKBTEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(24-17-7-3-1-4-8-17)16-11-13-18(14-12-16)25-22(29)23-27-26-20(31-23)15-30-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2,(H,24,28)(H,25,29).
What are the key properties of N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide?
N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46332619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).