N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide

C20H28N4OS — CID 24668061

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1
InChIInChI=1S/C20H28N4OS/c1-3-16(4-2)19-22-23-20(26-19)21-18(25)17-10-8-15(9-11-17)14-24-12-6-5-7-13-24/h8-11,16H,3-7,12-14H2,1-2H3,(H,21,23,25)
InChIKeyTVZNNHSHEJLEOD-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.68
Rot. Bonds7

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 24668061) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID24668061
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1
InChIInChI=1S/C20H28N4OS/c1-3-16(4-2)19-22-23-20(26-19)21-18(25)17-10-8-15(9-11-17)14-24-12-6-5-7-13-24/h8-11,16H,3-7,12-14H2,1-2H3,(H,21,23,25)
InChIKeyTVZNNHSHEJLEOD-UHFFFAOYSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865509
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide (CID 24668061) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is TVZNNHSHEJLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-3-16(4-2)19-22-23-20(26-19)21-18(25)17-10-8-15(9-11-17)14-24-12-6-5-7-13-24/h8-11,16H,3-7,12-14H2,1-2H3,(H,21,23,25).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 372.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 24668061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).