2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C15H20N4O2S — CID 95623570

IUPAC2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(C[C@@H](C)N(C)CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H20N4O2S/c1-11(8-12-4-6-13(21-3)7-5-12)19(2)9-14(20)17-15-18-16-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m1/s1
InChIKeySAKZDVRTFOQIGY-LLVKDONJSA-N
MW320.42 g/mol
LogP2.05
Rot. Bonds7

About 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95623570) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95623570
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(C[C@@H](C)N(C)CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H20N4O2S/c1-11(8-12-4-6-13(21-3)7-5-12)19(2)9-14(20)17-15-18-16-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m1/s1
InChIKeySAKZDVRTFOQIGY-LLVKDONJSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
N-(4-methoxyphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 9457748
1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30854193
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024674
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
N-(4-methyl-1,3-thiazol-2-yl)-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]acetamide
CID 71864297
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
N-methyl-2-[methyl-[(2R)-1-(4-methylphenyl)propan-2-yl]amino]acetamide
CID 95633042
1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94138885
(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031776
2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 95623570) is 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(C[C@@H](C)N(C)CC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SAKZDVRTFOQIGY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11(8-12-4-6-13(21-3)7-5-12)19(2)9-14(20)17-15-18-16-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95623570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).