2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C14H14ClN7OS — CID 16567945

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nnc(C)s1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN7OS/c1-3-11(13(23)16-14-19-17-8(2)24-14)22-20-12(18-21-22)9-4-6-10(15)7-5-9/h4-7,11H,3H2,1-2H3,(H,16,19,23)
InChIKeyCCQLBTIVFQYCOR-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 16567945) has the molecular formula C14H14ClN7OS and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID16567945
Molecular FormulaC14H14ClN7OS
Molecular Weight363.83 g/mol
Exact Mass363.07
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nnc(C)s1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN7OS/c1-3-11(13(23)16-14-19-17-8(2)24-14)22-20-12(18-21-22)9-4-6-10(15)7-5-9/h4-7,11H,3H2,1-2H3,(H,16,19,23)
InChIKeyCCQLBTIVFQYCOR-UHFFFAOYSA-N
XLogP2.74
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
CID 55978138
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 134023226
(2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-cyanoethylsulfanyl)phenyl]butanamide
CID 97309347

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 16567945) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(C(=O)Nc1nnc(C)s1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is CCQLBTIVFQYCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7OS/c1-3-11(13(23)16-14-19-17-8(2)24-14)22-20-12(18-21-22)9-4-6-10(15)7-5-9/h4-7,11H,3H2,1-2H3,(H,16,19,23).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 363.83 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 16567945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).