N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide

C26H24N6O6S3 — CID 91374414

IUPACN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)Cn5c(O)csc5=O)c4)cs3)s2)cc(OC)c1OC
InChIInChI=1S/C26H24N6O6S3/c1-36-17-8-15(9-18(37-2)21(17)38-3)29-25-31-23(27)22(41-25)24-30-16(11-39-24)13-5-4-6-14(7-13)28-19(33)10-32-20(34)12-40-26(32)35/h4-9,11-12,34H,10,27H2,1-3H3,(H,28,33)(H,29,31)
InChIKeyUVCRTPARRUWRTC-UHFFFAOYSA-N
MW612.72 g/mol
LogP4.85
Rot. Bonds10

About N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 91374414) has the molecular formula C26H24N6O6S3 and a molecular weight of 612.72 g/mol. Its IUPAC name is N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID91374414
Molecular FormulaC26H24N6O6S3
Molecular Weight612.72 g/mol
Exact Mass612.09
IUPAC NameN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)Cn5c(O)csc5=O)c4)cs3)s2)cc(OC)c1OC
InChIInChI=1S/C26H24N6O6S3/c1-36-17-8-15(9-18(37-2)21(17)38-3)29-25-31-23(27)22(41-25)24-30-16(11-39-24)13-5-4-6-14(7-13)28-19(33)10-32-20(34)12-40-26(32)35/h4-9,11-12,34H,10,27H2,1-3H3,(H,28,33)(H,29,31)
InChIKeyUVCRTPARRUWRTC-UHFFFAOYSA-N
XLogP4.85
TPSA162.85 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.72
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-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-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylpentanamide
CID 21358224
1-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylurea
CID 22994071
methyl 4-[[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamoyl]benzoate
CID 21358073
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357966
1-phenylethyl N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamate
CID 21357795
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-fluorobenzamide
CID 22993990
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2,2-diphenoxyacetamide
CID 142653534
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-ethylbenzamide
CID 22993956
(E)-N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-phenylprop-2-enamide
CID 21358228
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 21358176
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-(2-chloroethyl)benzamide
CID 21358232
(E)-N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 21358205

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide (CID 91374414) is N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide is COc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)Cn5c(O)csc5=O)c4)cs3)s2)cc(OC)c1OC.
What is the InChIKey of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UVCRTPARRUWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O6S3/c1-36-17-8-15(9-18(37-2)21(17)38-3)29-25-31-23(27)22(41-25)24-30-16(11-39-24)13-5-4-6-14(7-13)28-19(33)10-32-20(34)12-40-26(32)35/h4-9,11-12,34H,10,27H2,1-3H3,(H,28,33)(H,29,31).
What are the key properties of N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 612.72 g/mol, XLogP of 4.85, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 91374414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).