N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

C18H20N4O2S2 — CID 46516828

IUPACN-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)N(c1nnc(SC(C)C(=O)N2CCc3ccccc32)s1)C1CC1
InChIInChI=1S/C18H20N4O2S2/c1-11(16(24)21-10-9-13-5-3-4-6-15(13)21)25-18-20-19-17(26-18)22(12(2)23)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3
InChIKeyOZSODPLITMQPRM-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 46516828) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID46516828
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)N(c1nnc(SC(C)C(=O)N2CCc3ccccc32)s1)C1CC1
InChIInChI=1S/C18H20N4O2S2/c1-11(16(24)21-10-9-13-5-3-4-6-15(13)21)25-18-20-19-17(26-18)22(12(2)23)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3
InChIKeyOZSODPLITMQPRM-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide 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-cyclopropyl-N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 32669188
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819311
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 29248826
1-(2,3-dihydroindol-1-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 51210004
(2R)-1-(2,3-dihydroindol-1-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7754274
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819296
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 2675955
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 51339481
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 42901832
(2S)-1-(2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one
CID 2661767
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42886374

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 46516828) is N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)N(c1nnc(SC(C)C(=O)N2CCc3ccccc32)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OZSODPLITMQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-11(16(24)21-10-9-13-5-3-4-6-15(13)21)25-18-20-19-17(26-18)22(12(2)23)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 46516828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).