2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C15H20N4OS — CID 106151126

IUPAC2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C15H20N4OS/c1-9(2)8-12-18-19-15(21-12)17-14(20)13(16)11-6-4-10(3)5-7-11/h4-7,9,13H,8,16H2,1-3H3,(H,17,19,20)
InChIKeyANWJOOWZIIIJOW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 106151126) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID106151126
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C15H20N4OS/c1-9(2)8-12-18-19-15(21-12)17-14(20)13(16)11-6-4-10(3)5-7-11/h4-7,9,13H,8,16H2,1-3H3,(H,17,19,20)
InChIKeyANWJOOWZIIIJOW-UHFFFAOYSA-N
XLogP2.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 113228219
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 120667956
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 114172141
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
(2S)-2-amino-3,3-dimethyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 119777368
N-(2-bromo-4-methylphenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4646070
2-acetamido-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 47097701
2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 26068314

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 106151126) is 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(C(N)C(=O)Nc2nnc(CC(C)C)s2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ANWJOOWZIIIJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)8-12-18-19-15(21-12)17-14(20)13(16)11-6-4-10(3)5-7-11/h4-7,9,13H,8,16H2,1-3H3,(H,17,19,20).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 106151126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).