N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C15H19N5O2S2 — CID 43814584

IUPACN-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C15H19N5O2S2/c1-4-12(21)17-14-18-19-15(24-14)23-9-13(22)16-10-5-7-11(8-6-10)20(2)3/h5-8H,4,9H2,1-3H3,(H,16,22)(H,17,18,21)
InChIKeyDPOOKUXPAOVXGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.68
Rot. Bonds7

About N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 43814584) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID43814584
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC NameN-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C15H19N5O2S2/c1-4-12(21)17-14-18-19-15(24-14)23-9-13(22)16-10-5-7-11(8-6-10)20(2)3/h5-8H,4,9H2,1-3H3,(H,16,22)(H,17,18,21)
InChIKeyDPOOKUXPAOVXGI-UHFFFAOYSA-N
XLogP2.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide 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

N-[4-(dimethylamino)phenyl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516284
N-[4-(dimethylamino)phenyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3312497
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 895541
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 866406
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 897625
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)phenyl]acetamide
CID 2115070
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 4106975
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 3381995
2,2-dimethyl-N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 5051222
N-[5-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 43814598
ethyl 4-[[2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2197717
ethyl 4-[[2-[[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 50741146

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 43814584) is N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is DPOOKUXPAOVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-4-12(21)17-14-18-19-15(24-14)23-9-13(22)16-10-5-7-11(8-6-10)20(2)3/h5-8H,4,9H2,1-3H3,(H,16,22)(H,17,18,21).
What are the key properties of N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 43814584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).