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

C11H16N4O2S2 — CID 4039323

IUPACN-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1
InChIInChI=1S/C11H16N4O2S2/c1-7-14-15-11(19-7)18-6-9(16)13-10(17)12-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyPKJLHMZZCQLYSG-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.71
Rot. Bonds4

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

N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4039323) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4039323
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1
InChIInChI=1S/C11H16N4O2S2/c1-7-14-15-11(19-7)18-6-9(16)13-10(17)12-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyPKJLHMZZCQLYSG-UHFFFAOYSA-N
XLogP1.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4039323) is N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PKJLHMZZCQLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7-14-15-11(19-7)18-6-9(16)13-10(17)12-8-4-2-3-5-8/h8H,2-6H2,1H3,(H2,12,13,16,17).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 300.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4039323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).