2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

C17H17N5O3S3 — CID 18091072

IUPAC2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
SMILESCOc1ccccc1Nc1nnc(SC(C)C(=O)Nc2sccc2C(N)=O)s1
InChIInChI=1S/C17H17N5O3S3/c1-9(14(24)20-15-10(13(18)23)7-8-26-15)27-17-22-21-16(28-17)19-11-5-3-4-6-12(11)25-2/h3-9H,1-2H3,(H2,18,23)(H,19,21)(H,20,24)
InChIKeyRPKZOPMZNKVKFD-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.57
Rot. Bonds8

About 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide (PubChem CID 18091072) has the molecular formula C17H17N5O3S3 and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
PubChem CID18091072
Molecular FormulaC17H17N5O3S3
Molecular Weight435.56 g/mol
Exact Mass435.05
IUPAC Name2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
SMILESCOc1ccccc1Nc1nnc(SC(C)C(=O)Nc2sccc2C(N)=O)s1
InChIInChI=1S/C17H17N5O3S3/c1-9(14(24)20-15-10(13(18)23)7-8-26-15)27-17-22-21-16(28-17)19-11-5-3-4-6-12(11)25-2/h3-9H,1-2H3,(H2,18,23)(H,19,21)(H,20,24)
InChIKeyRPKZOPMZNKVKFD-UHFFFAOYSA-N
XLogP3.57
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-N-(2-cyanophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9220790
(2S)-N-(4-acetylphenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 2611346
(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 29201822
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46618501
(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylpropanamide
CID 31019494
(2R)-N-(3-cyanophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7857471
(2S)-N-(2-methoxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9221255
(2R)-N-(2-methoxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9221256
N-(2-methoxyphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46626836
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 2589219

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide (CID 18091072) is 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide is COc1ccccc1Nc1nnc(SC(C)C(=O)Nc2sccc2C(N)=O)s1.
What is the InChIKey of 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is RPKZOPMZNKVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S3/c1-9(14(24)20-15-10(13(18)23)7-8-26-15)27-17-22-21-16(28-17)19-11-5-3-4-6-12(11)25-2/h3-9H,1-2H3,(H2,18,23)(H,19,21)(H,20,24).
What are the key properties of 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide?
2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 435.56 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 18091072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).