N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C17H22ClN5OS2 — CID 4254373

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(C)s2)CC1
InChIInChI=1S/C17H22ClN5OS2/c1-3-22-7-9-23(10-8-22)16-13(18)5-4-6-14(16)19-15(24)11-25-17-21-20-12(2)26-17/h4-6H,3,7-11H2,1-2H3,(H,19,24)
InChIKeyALECPFSWJHSREQ-UHFFFAOYSA-N
MW411.98 g/mol
LogP3.37
Rot. Bonds6

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4254373) has the molecular formula C17H22ClN5OS2 and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4254373
Molecular FormulaC17H22ClN5OS2
Molecular Weight411.98 g/mol
Exact Mass411.10
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(C)s2)CC1
InChIInChI=1S/C17H22ClN5OS2/c1-3-22-7-9-23(10-8-22)16-13(18)5-4-6-14(16)19-15(24)11-25-17-21-20-12(2)26-17/h4-6H,3,7-11H2,1-2H3,(H,19,24)
InChIKeyALECPFSWJHSREQ-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4665581
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 4233206
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 50954788
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
N-(3-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 17186518
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 804017
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3559553
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4215185

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4254373) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(C)s2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ALECPFSWJHSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OS2/c1-3-22-7-9-23(10-8-22)16-13(18)5-4-6-14(16)19-15(24)11-25-17-21-20-12(2)26-17/h4-6H,3,7-11H2,1-2H3,(H,19,24).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 411.98 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4254373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).