N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C18H22N6OS — CID 91776324

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCc3nnc(N)s3)cc2)n1
InChIInChI=1S/C18H22N6OS/c1-12-10-13(2)24(23-12)11-14-5-7-15(8-6-14)17(25)20-9-3-4-16-21-22-18(19)26-16/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,22)(H,20,25)
InChIKeyCRCIVVUSJXQYFW-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.34
Rot. Bonds7

About N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 91776324) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID91776324
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCc3nnc(N)s3)cc2)n1
InChIInChI=1S/C18H22N6OS/c1-12-10-13(2)24(23-12)11-14-5-7-15(8-6-14)17(25)20-9-3-4-16-21-22-18(19)26-16/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,22)(H,20,25)
InChIKeyCRCIVVUSJXQYFW-UHFFFAOYSA-N
XLogP2.34
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 56882872
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
CID 100585287
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
CID 92659568
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide
CID 100585299
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 56901368

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 91776324) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3nnc(N)s3)cc2)n1.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is CRCIVVUSJXQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12-10-13(2)24(23-12)11-14-5-7-15(8-6-14)17(25)20-9-3-4-16-21-22-18(19)26-16/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,22)(H,20,25).
What are the key properties of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 370.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 91776324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).