N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide

C16H21N3O2S2 — CID 143247585

IUPACN-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide
SMILESCCC(O)(CC)c1csc(NSc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H21N3O2S2/c1-4-16(21,5-2)14-10-22-15(18-14)19-23-13-8-6-12(7-9-13)17-11(3)20/h6-10,21H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWZBLJZNYHHEUDV-UHFFFAOYSA-N
MW351.50 g/mol
LogP4.23
Rot. Bonds7

About N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide

N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide (PubChem CID 143247585) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide
PubChem CID143247585
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide
SMILESCCC(O)(CC)c1csc(NSc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H21N3O2S2/c1-4-16(21,5-2)14-10-22-15(18-14)19-23-13-8-6-12(7-9-13)17-11(3)20/h6-10,21H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWZBLJZNYHHEUDV-UHFFFAOYSA-N
XLogP4.23
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]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-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide
CID 143880092
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
CID 11545304
4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide
CID 143247561
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 22830494
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 11703994

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide (CID 143247585) is N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide is CCC(O)(CC)c1csc(NSc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide?
The InChIKey is WZBLJZNYHHEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-4-16(21,5-2)14-10-22-15(18-14)19-23-13-8-6-12(7-9-13)17-11(3)20/h6-10,21H,4-5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide?
N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide is sourced from PubChem (CID 143247585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).