N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide

C16H22N4OS2 — CID 51236974

IUPACN,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCC(C)CNc1nnc(SC(C(=O)N(C)C)c2ccccc2)s1
InChIInChI=1S/C16H22N4OS2/c1-11(2)10-17-15-18-19-16(23-15)22-13(14(21)20(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18)
InChIKeyVFOBLERWPCOVRU-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.53
Rot. Bonds7

About N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide

N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 51236974) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
PubChem CID51236974
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC NameN,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCC(C)CNc1nnc(SC(C(=O)N(C)C)c2ccccc2)s1
InChIInChI=1S/C16H22N4OS2/c1-11(2)10-17-15-18-19-16(23-15)22-13(14(21)20(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18)
InChIKeyVFOBLERWPCOVRU-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782
2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 17476258
2-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 24519322
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
CID 51209365
(2S)-N,N-dimethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378732
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 27987793
2-phenyl-1-piperidin-1-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 48914975
N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51210035
N-(2-methoxyphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46626836
(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798366
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8603173

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide (CID 51236974) is N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide is CC(C)CNc1nnc(SC(C(=O)N(C)C)c2ccccc2)s1.
What is the InChIKey of N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The InChIKey is VFOBLERWPCOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-11(2)10-17-15-18-19-16(23-15)22-13(14(21)20(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18).
What are the key properties of N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide?
N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 350.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 51236974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).