N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide

C12H12N4O2S — CID 29370573

IUPACN-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1nncs1
InChIInChI=1S/C12H12N4O2S/c17-10(6-9-4-2-1-3-5-9)13-7-11(18)15-12-16-14-8-19-12/h1-5,8H,6-7H2,(H,13,17)(H,15,16,18)
InChIKeyVMIBTSVBTWDTSC-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.84
Rot. Bonds5

About N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide

N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide (PubChem CID 29370573) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
PubChem CID29370573
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1nncs1
InChIInChI=1S/C12H12N4O2S/c17-10(6-9-4-2-1-3-5-9)13-7-11(18)15-12-16-14-8-19-12/h1-5,8H,6-7H2,(H,13,17)(H,15,16,18)
InChIKeyVMIBTSVBTWDTSC-UHFFFAOYSA-N
XLogP0.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19164003
2-amino-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]acetamide
CID 130157493
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 29370156
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide (CID 29370573) is N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1nncs1.
What is the InChIKey of N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide?
The InChIKey is VMIBTSVBTWDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-10(6-9-4-2-1-3-5-9)13-7-11(18)15-12-16-14-8-19-12/h1-5,8H,6-7H2,(H,13,17)(H,15,16,18).
What are the key properties of N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide?
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide has a molecular weight of 276.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 29370573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).