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

C14H16ClN5O4S3 — CID 4152610

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C14H16ClN5O4S3/c15-10-2-1-9(27(22,23)20-3-5-24-6-4-20)7-11(10)17-12(21)8-25-14-19-18-13(16)26-14/h1-2,7H,3-6,8H2,(H2,16,18)(H,17,21)
InChIKeyGGCCLTQQEYHOSR-UHFFFAOYSA-N
MW449.97 g/mol
LogP1.53
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4152610) has the molecular formula C14H16ClN5O4S3 and a molecular weight of 449.97 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4152610
Molecular FormulaC14H16ClN5O4S3
Molecular Weight449.97 g/mol
Exact Mass449.01
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C14H16ClN5O4S3/c15-10-2-1-9(27(22,23)20-3-5-24-6-4-20)7-11(10)17-12(21)8-25-14-19-18-13(16)26-14/h1-2,7H,3-6,8H2,(H2,16,18)(H,17,21)
InChIKeyGGCCLTQQEYHOSR-UHFFFAOYSA-N
XLogP1.53
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.97
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 4152610) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is GGCCLTQQEYHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O4S3/c15-10-2-1-9(27(22,23)20-3-5-24-6-4-20)7-11(10)17-12(21)8-25-14-19-18-13(16)26-14/h1-2,7H,3-6,8H2,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 449.97 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).