2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide

C12H14N4O2S4 — CID 8940061

IUPAC2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESCCSc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1
InChIInChI=1S/C12H14N4O2S4/c1-3-19-11-15-16-12(22-11)21-6(2)9(18)14-10-7(8(13)17)4-5-20-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,18)/t6-/m0/s1
InChIKeyLFRZWURGOZZLMD-LURJTMIESA-N
MW374.54 g/mol
LogP2.93
Rot. Bonds7

About 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 8940061) has the molecular formula C12H14N4O2S4 and a molecular weight of 374.54 g/mol. Its IUPAC name is 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID8940061
Molecular FormulaC12H14N4O2S4
Molecular Weight374.54 g/mol
Exact Mass374.00
IUPAC Name2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESCCSc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1
InChIInChI=1S/C12H14N4O2S4/c1-3-19-11-15-16-12(22-11)21-6(2)9(18)14-10-7(8(13)17)4-5-20-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,18)/t6-/m0/s1
InChIKeyLFRZWURGOZZLMD-LURJTMIESA-N
XLogP2.93
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30208813
2-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 18091072
(2R)-N-(4-chlorophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7692366
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 8939799
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
N-(3-chloro-2-methylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 84877731
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840
ethyl 4-amino-2-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 25332239
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 55423029
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8940019
2-[[(2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739946

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide (CID 8940061) is 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide is CCSc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1.
What is the InChIKey of 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is LFRZWURGOZZLMD-LURJTMIESA-N. The full InChI is InChI=1S/C12H14N4O2S4/c1-3-19-11-15-16-12(22-11)21-6(2)9(18)14-10-7(8(13)17)4-5-20-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,18)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 374.54 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8940061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).