N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride

C14H18ClN3OS — CID 23724219

IUPACN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1nnc(CCc2ccccc2)s1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-2-6-12(18)15-14-17-16-13(19-14)10-9-11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,17,18);1H
InChIKeyGCVNUSLGYVBOFV-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.48
Rot. Bonds6

About N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride (PubChem CID 23724219) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
PubChem CID23724219
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1nnc(CCc2ccccc2)s1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-2-6-12(18)15-14-17-16-13(19-14)10-9-11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,17,18);1H
InChIKeyGCVNUSLGYVBOFV-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
N-[5-(4-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-methyl-butyramide
CID 921781
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 1451472
3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2974277
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
3,3-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3979946
N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}butanamide
CID 6290772
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride (CID 23724219) is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride is CCCC(=O)Nc1nnc(CCc2ccccc2)s1.Cl.
What is the InChIKey of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The InChIKey is GCVNUSLGYVBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-2-6-12(18)15-14-17-16-13(19-14)10-9-11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,17,18);1H.
What are the key properties of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 23724219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).