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

C9H15N3OS2 — CID 18777314

IUPACN-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1nnc(C)s1
InChIInChI=1S/C9H15N3OS2/c1-4-6(2)10-8(13)5-14-9-12-11-7(3)15-9/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyNYIWNURLBDCUAH-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.85
Rot. Bonds5

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

N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 18777314) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID18777314
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC NameN-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1nnc(C)s1
InChIInChI=1S/C9H15N3OS2/c1-4-6(2)10-8(13)5-14-9-12-11-7(3)15-9/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyNYIWNURLBDCUAH-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 18777314) is N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCC(C)NC(=O)CSc1nnc(C)s1.
What is the InChIKey of N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NYIWNURLBDCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-4-6(2)10-8(13)5-14-9-12-11-7(3)15-9/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 245.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18777314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).