N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide

C15H18ClN3OS — CID 2072795

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
SMILESCCCCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1
InChIInChI=1S/C15H18ClN3OS/c1-2-3-7-14-18-19-15(21-14)17-13(20)9-8-11-5-4-6-12(16)10-11/h4-6,10H,2-3,7-9H2,1H3,(H,17,19,20)
InChIKeyBOWVPLMQLGYCDN-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide (PubChem CID 2072795) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
PubChem CID2072795
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
SMILESCCCCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1
InChIInChI=1S/C15H18ClN3OS/c1-2-3-7-14-18-19-15(21-14)17-13(20)9-8-11-5-4-6-12(16)10-11/h4-6,10H,2-3,7-9H2,1H3,(H,17,19,20)
InChIKeyBOWVPLMQLGYCDN-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
1-(3-chlorophenyl)-3-(5-undecyl-1,3,4-thiadiazol-2-yl)urea
CID 3849762
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634
3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 1407434
7-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119807008
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 31039879
3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19221551
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide (CID 2072795) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide is CCCCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide?
The InChIKey is BOWVPLMQLGYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-3-7-14-18-19-15(21-14)17-13(20)9-8-11-5-4-6-12(16)10-11/h4-6,10H,2-3,7-9H2,1H3,(H,17,19,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide has a molecular weight of 323.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 2072795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).