2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide

C14H18N4OS — CID 119334068

IUPAC2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(C)c1nnc(CNC(=O)C(N)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-9(2)14-18-17-11(20-14)8-16-13(19)12(15)10-6-4-3-5-7-10/h3-7,9,12H,8,15H2,1-2H3,(H,16,19)
InChIKeyQXQPZYRAJGVZTB-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide

2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide (PubChem CID 119334068) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide
PubChem CID119334068
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(C)c1nnc(CNC(=O)C(N)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-9(2)14-18-17-11(20-14)8-16-13(19)12(15)10-6-4-3-5-7-10/h3-7,9,12H,8,15H2,1-2H3,(H,16,19)
InChIKeyQXQPZYRAJGVZTB-UHFFFAOYSA-N
XLogP1.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide (CID 119334068) is 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide is CC(C)c1nnc(CNC(=O)C(N)c2ccccc2)s1.
What is the InChIKey of 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The InChIKey is QXQPZYRAJGVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(2)14-18-17-11(20-14)8-16-13(19)12(15)10-6-4-3-5-7-10/h3-7,9,12H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 119334068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).