N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

C16H15N3OS2 — CID 17444449

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS2/c20-14(10-4-8-13-9-5-11-21-13)17-16-19-18-15(22-16)12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,17,19,20)
InChIKeyMRBXECAMMNWFSV-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.23
Rot. Bonds6

About N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 17444449) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID17444449
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS2/c20-14(10-4-8-13-9-5-11-21-13)17-16-19-18-15(22-16)12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,17,19,20)
InChIKeyMRBXECAMMNWFSV-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 4693045
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-(2,4-dimethylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649218
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (CID 17444449) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is MRBXECAMMNWFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-14(10-4-8-13-9-5-11-21-13)17-16-19-18-15(22-16)12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,17,19,20).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 329.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 17444449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).