N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C13H16N4O2S2 — CID 30275509

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)CCCNC(=O)c2ccsc2)s1
InChIInChI=1S/C13H16N4O2S2/c1-2-11-16-17-13(21-11)15-10(18)4-3-6-14-12(19)9-5-7-20-8-9/h5,7-8H,2-4,6H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyVETKANQFOIDLSF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.31
Rot. Bonds7

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 30275509) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID30275509
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)CCCNC(=O)c2ccsc2)s1
InChIInChI=1S/C13H16N4O2S2/c1-2-11-16-17-13(21-11)15-10(18)4-3-6-14-12(19)9-5-7-20-8-9/h5,7-8H,2-4,6H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyVETKANQFOIDLSF-UHFFFAOYSA-N
XLogP2.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9398182
methyl 4,5-dimethyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 78802955
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 30275509) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is CCc1nnc(NC(=O)CCCNC(=O)c2ccsc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is VETKANQFOIDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-2-11-16-17-13(21-11)15-10(18)4-3-6-14-12(19)9-5-7-20-8-9/h5,7-8H,2-4,6H2,1H3,(H,14,19)(H,15,17,18).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 30275509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).