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

C9H15N5O2S2 — CID 7760260

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-5(2)3-11-8(16)12-6(15)4-17-9-14-13-7(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,15,16)
InChIKeyXBPNAMUQLOQRCI-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.69
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 7760260) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID7760260
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-5(2)3-11-8(16)12-6(15)4-17-9-14-13-7(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,15,16)
InChIKeyXBPNAMUQLOQRCI-UHFFFAOYSA-N
XLogP0.69
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide (CID 7760260) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is XBPNAMUQLOQRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c1-5(2)3-11-8(16)12-6(15)4-17-9-14-13-7(10)18-9/h5H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,15,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 289.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 7760260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).