N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C16H19N7OS — CID 55600753

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2ccc(-n3cnnn3)cc2)s1
InChIInChI=1S/C16H19N7OS/c1-3-12(4-2)15-19-20-16(25-15)18-14(24)9-11-5-7-13(8-6-11)23-10-17-21-22-23/h5-8,10,12H,3-4,9H2,1-2H3,(H,18,20,24)
InChIKeyUNCKNFDETIKCDJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.60
Rot. Bonds7

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55600753) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55600753
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cc2ccc(-n3cnnn3)cc2)s1
InChIInChI=1S/C16H19N7OS/c1-3-12(4-2)15-19-20-16(25-15)18-14(24)9-11-5-7-13(8-6-11)23-10-17-21-22-23/h5-8,10,12H,3-4,9H2,1-2H3,(H,18,20,24)
InChIKeyUNCKNFDETIKCDJ-UHFFFAOYSA-N
XLogP2.60
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 52691876
N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95637470
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600412
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55651820
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78858532
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 7465223
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55600753) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCC(CC)c1nnc(NC(=O)Cc2ccc(-n3cnnn3)cc2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is UNCKNFDETIKCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-3-12(4-2)15-19-20-16(25-15)18-14(24)9-11-5-7-13(8-6-11)23-10-17-21-22-23/h5-8,10,12H,3-4,9H2,1-2H3,(H,18,20,24).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55600753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).