N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H19N5OS — CID 24649219

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H19N5OS/c1-11-14(12(2)22(3)21-11)9-10-15(23)18-17-20-19-16(24-17)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,20,23)
InChIKeyQWEGEKKTLQKLRY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.13
Rot. Bonds5

About N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24649219) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24649219
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H19N5OS/c1-11-14(12(2)22(3)21-11)9-10-15(23)18-17-20-19-16(24-17)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,20,23)
InChIKeyQWEGEKKTLQKLRY-UHFFFAOYSA-N
XLogP3.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55477153
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206679
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24649219) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QWEGEKKTLQKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-14(12(2)22(3)21-11)9-10-15(23)18-17-20-19-16(24-17)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,20,23).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24649219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).