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

C14H16N4O2S2 — CID 2596025

IUPACN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1
InChIInChI=1S/C14H16N4O2S2/c1-20-11-6-4-10(5-7-11)16-13-17-18-14(22-13)21-8-12(19)15-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyDHMHQWOHSLZZHL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.66
Rot. Bonds7

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

N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2596025) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2596025
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1
InChIInChI=1S/C14H16N4O2S2/c1-20-11-6-4-10(5-7-11)16-13-17-18-14(22-13)21-8-12(19)15-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyDHMHQWOHSLZZHL-UHFFFAOYSA-N
XLogP2.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2596025) is N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DHMHQWOHSLZZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-20-11-6-4-10(5-7-11)16-13-17-18-14(22-13)21-8-12(19)15-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2596025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).