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

C9H16N4OS — CID 83631570

IUPAC2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(C)(C)c1nnc(CNC(=O)CN)s1
InChIInChI=1S/C9H16N4OS/c1-9(2,3)8-13-12-7(15-8)5-11-6(14)4-10/h4-5,10H2,1-3H3,(H,11,14)
InChIKeyIFDPBMKLSUUHED-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.41
Rot. Bonds3

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

2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (PubChem CID 83631570) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
PubChem CID83631570
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(C)(C)c1nnc(CNC(=O)CN)s1
InChIInChI=1S/C9H16N4OS/c1-9(2,3)8-13-12-7(15-8)5-11-6(14)4-10/h4-5,10H2,1-3H3,(H,11,14)
InChIKeyIFDPBMKLSUUHED-UHFFFAOYSA-N
XLogP0.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 75379739
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119820909
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
CID 154739812
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
CID 59446211
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75379889
(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
CID 129345345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (CID 83631570) is 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is CC(C)(C)c1nnc(CNC(=O)CN)s1.
What is the InChIKey of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The InChIKey is IFDPBMKLSUUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-9(2,3)8-13-12-7(15-8)5-11-6(14)4-10/h4-5,10H2,1-3H3,(H,11,14).
What are the key properties of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide has a molecular weight of 228.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 83631570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).