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

C12H22N4OS2 — CID 2630127

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H22N4OS2/c1-8(2)5-16(6-9(3)4)10(17)7-18-12-15-14-11(13)19-12/h8-9H,5-7H2,1-4H3,(H2,13,14)
InChIKeyWDYPTQXVBWGGLP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.35
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 2630127) has the molecular formula C12H22N4OS2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID2630127
Molecular FormulaC12H22N4OS2
Molecular Weight302.47 g/mol
Exact Mass302.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H22N4OS2/c1-8(2)5-16(6-9(3)4)10(17)7-18-12-15-14-11(13)19-12/h8-9H,5-7H2,1-4H3,(H2,13,14)
InChIKeyWDYPTQXVBWGGLP-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 2057116
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexyl-N-methylacetamide
CID 4809512
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 972493
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4805006
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylacetamide
CID 1281680
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-ethyl-N-(2-methylallyl)acetamide
CID 8633127
5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-1-(azepan-1-yl)ethan-1-one
CID 4805007
2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-isobutylacetamide
CID 16524208
N,N-bis(2-methylpropyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 48915102
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 2426479

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide (CID 2630127) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is WDYPTQXVBWGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS2/c1-8(2)5-16(6-9(3)4)10(17)7-18-12-15-14-11(13)19-12/h8-9H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 302.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 2630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).