N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C17H23N5O3S2 — CID 27764862

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCCNc1nnc(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)s1
InChIInChI=1S/C17H23N5O3S2/c1-4-7-18-16-21-22-17(27-16)26-10-15(24)19-9-14(23)20-12-8-11(2)5-6-13(12)25-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyABLVGTQRAIOLNR-UHFFFAOYSA-N
MW409.54 g/mol
LogP2.52
Rot. Bonds10

About N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 27764862) has the molecular formula C17H23N5O3S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID27764862
Molecular FormulaC17H23N5O3S2
Molecular Weight409.54 g/mol
Exact Mass409.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCCNc1nnc(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)s1
InChIInChI=1S/C17H23N5O3S2/c1-4-7-18-16-21-22-17(27-16)26-10-15(24)19-9-14(23)20-12-8-11(2)5-6-13(12)25-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyABLVGTQRAIOLNR-UHFFFAOYSA-N
XLogP2.52
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]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-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664702
N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 31127067
N-(2-chloro-4-methylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909869
N-(2,5-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798293
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55467963
[3-methyl-4-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 8911043
N-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1462660
N-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 7940124
2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16533838
N-(2,5-dimethoxyphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7754038
N-(2,5-dimethylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7258965

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 27764862) is N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is CCCNc1nnc(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)s1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is ABLVGTQRAIOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S2/c1-4-7-18-16-21-22-17(27-16)26-10-15(24)19-9-14(23)20-12-8-11(2)5-6-13(12)25-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,21)(H,19,24)(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 409.54 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 27764862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).