N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

C22H26N4OS2 — CID 137411863

IUPACN-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCNc1ccc(-c2ncc(-c3ccc(NC(C)=O)cc3SNC(C)(C)C)s2)cc1
InChIInChI=1S/C22H26N4OS2/c1-14(27)25-17-10-11-18(19(12-17)29-26-22(2,3)4)20-13-24-21(28-20)15-6-8-16(23-5)9-7-15/h6-13,23,26H,1-5H3,(H,25,27)
InChIKeySRVONXHMJHXCCM-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.87
Rot. Bonds6

About N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 137411863) has the molecular formula C22H26N4OS2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
PubChem CID137411863
Molecular FormulaC22H26N4OS2
Molecular Weight426.61 g/mol
Exact Mass426.15
IUPAC NameN-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCNc1ccc(-c2ncc(-c3ccc(NC(C)=O)cc3SNC(C)(C)C)s2)cc1
InChIInChI=1S/C22H26N4OS2/c1-14(27)25-17-10-11-18(19(12-17)29-26-22(2,3)4)20-13-24-21(28-20)15-6-8-16(23-5)9-7-15/h6-13,23,26H,1-5H3,(H,25,27)
InChIKeySRVONXHMJHXCCM-UHFFFAOYSA-N
XLogP5.87
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]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-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 164991736
1-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylamino)sulfanylphenyl]-3-benzyl-1-methylurea
CID 137411961
N-[3-tert-butylsulfinamoyl-4-[2-[4-(methanesulfonamido)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 137411835
propan-2-yl N-[3-(tert-butylamino)sulfanyl-4-[2-[3-(methylamino)-1-bicyclo[1.1.0]butanyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 167263069
N-tert-butyl-5-ethenyl-2-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]benzenesulfonamide
CID 142516661
(4-nitrophenyl) N-[4-[5-(4-acetamido-2-methylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]carbamate
CID 142516766
N-[3-[(4-hydroxyphenyl)sulfamoyl]-4-[2-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 137412023
N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 146539334
N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane
CID 158354690
1-benzyl-3-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]urea
CID 155429003
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 137411781
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(methanethioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 142516649

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (CID 137411863) is N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is CNc1ccc(-c2ncc(-c3ccc(NC(C)=O)cc3SNC(C)(C)C)s2)cc1.
What is the InChIKey of N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The InChIKey is SRVONXHMJHXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS2/c1-14(27)25-17-10-11-18(19(12-17)29-26-22(2,3)4)20-13-24-21(28-20)15-6-8-16(23-5)9-7-15/h6-13,23,26H,1-5H3,(H,25,27).
What are the key properties of N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 426.61 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)sulfanyl-4-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 137411863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).