N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C19H16N6O3S3 — CID 18553403

IUPACN-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nnc(NC(=O)CSc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)s1
InChIInChI=1S/C19H16N6O3S3/c1-11-22-23-17(30-11)21-16(27)10-29-19-25-24-18(31-19)20-15(26)9-28-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,20,24,26)(H,21,23,27)
InChIKeySUSXZLDCSVXHRN-UHFFFAOYSA-N
MW472.58 g/mol
LogP3.60
Rot. Bonds8

About N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 18553403) has the molecular formula C19H16N6O3S3 and a molecular weight of 472.58 g/mol. Its IUPAC name is N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID18553403
Molecular FormulaC19H16N6O3S3
Molecular Weight472.58 g/mol
Exact Mass472.04
IUPAC NameN-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nnc(NC(=O)CSc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)s1
InChIInChI=1S/C19H16N6O3S3/c1-11-22-23-17(30-11)21-16(27)10-29-19-25-24-18(31-19)20-15(26)9-28-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,20,24,26)(H,21,23,27)
InChIKeySUSXZLDCSVXHRN-UHFFFAOYSA-N
XLogP3.60
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 18553403) is N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is Cc1nnc(NC(=O)CSc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)s1.
What is the InChIKey of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is SUSXZLDCSVXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S3/c1-11-22-23-17(30-11)21-16(27)10-29-19-25-24-18(31-19)20-15(26)9-28-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,20,24,26)(H,21,23,27).
What are the key properties of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 472.58 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 18553403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).