2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide

C18H18N4OS2 — CID 23857909

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide
SMILESCCC(Sc1nnc(N)s1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4OS2/c1-2-15(24-18-21-20-17(19)25-18)16(23)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H2,19,20)
InChIKeyRJVNSGWCZSRJCW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.36
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide (PubChem CID 23857909) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide
PubChem CID23857909
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide
SMILESCCC(Sc1nnc(N)s1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4OS2/c1-2-15(24-18-21-20-17(19)25-18)16(23)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H2,19,20)
InChIKeyRJVNSGWCZSRJCW-UHFFFAOYSA-N
XLogP4.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-phenylpropanamide
CID 2673747
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 4814927
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 2637961
ethyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylpropanoate
CID 7245320
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
CID 63580902
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diphenylbutanamide
CID 23859713
ethyl (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate
CID 2235629
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 23914415
methyl (2R)-2-[[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl]amino]-3-benzylsulfanylpropanoate
CID 2229142
2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
CID 19631326
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 45134919

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide (CID 23857909) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide is CCC(Sc1nnc(N)s1)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide?
The InChIKey is RJVNSGWCZSRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-2-15(24-18-21-20-17(19)25-18)16(23)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H2,19,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide has a molecular weight of 370.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diphenylbutanamide is sourced from PubChem (CID 23857909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).