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

C15H19N5O4S3 — CID 27788677

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N5O4S3/c1-16-14-18-19-15(26-14)25-10-13(21)17-11-2-4-12(5-3-11)27(22,23)20-6-8-24-9-7-20/h2-5H,6-10H2,1H3,(H,16,18)(H,17,21)
InChIKeyXXLHNZAZFVWPQL-UHFFFAOYSA-N
MW429.55 g/mol
LogP1.33
Rot. Bonds7

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

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 27788677) has the molecular formula C15H19N5O4S3 and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID27788677
Molecular FormulaC15H19N5O4S3
Molecular Weight429.55 g/mol
Exact Mass429.06
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N5O4S3/c1-16-14-18-19-15(26-14)25-10-13(21)17-11-2-4-12(5-3-11)27(22,23)20-6-8-24-9-7-20/h2-5H,6-10H2,1H3,(H,16,18)(H,17,21)
InChIKeyXXLHNZAZFVWPQL-UHFFFAOYSA-N
XLogP1.33
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517878
N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 4611533
N-(4-morpholin-4-ylsulfonylphenyl)-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41242768
N-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 44956601
N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23987992
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
ethyl N-[5-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamate
CID 55504730
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517907
N-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 44956758
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2448291
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788804

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 27788677) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is XXLHNZAZFVWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S3/c1-16-14-18-19-15(26-14)25-10-13(21)17-11-2-4-12(5-3-11)27(22,23)20-6-8-24-9-7-20/h2-5H,6-10H2,1H3,(H,16,18)(H,17,21).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 27788677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).