3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C17H23N3OS — CID 19221551

IUPAC3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23N3OS/c1-4-5-16-19-20-17(22-16)18-15(21)11-8-13-6-9-14(10-7-13)12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,18,20,21)
InChIKeyFZQAGBDQXXKUGF-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.19
Rot. Bonds7

About 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 19221551) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID19221551
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23N3OS/c1-4-5-16-19-20-17(22-16)18-15(21)11-8-13-6-9-14(10-7-13)12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,18,20,21)
InChIKeyFZQAGBDQXXKUGF-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
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N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
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2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34110542
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
3-(4-ethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19226109
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
2-[[4-(2-methylpropyl)-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43867257
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 19221551) is 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is FZQAGBDQXXKUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-5-16-19-20-17(22-16)18-15(21)11-8-13-6-9-14(10-7-13)12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,18,20,21).
What are the key properties of 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 317.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 19221551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).