N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide

C34H37N5O4S2 — CID 21358053

IUPACN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide
SMILESCOc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)CC56CC7CC8CC(C5)C8(C7)C6)c4)cs3)s2)cc(OC)c1OC
InChIInChI=1S/C34H37N5O4S2/c1-41-25-10-23(11-26(42-2)28(25)43-3)37-32-39-30(35)29(45-32)31-38-24(16-44-31)19-5-4-6-22(8-19)36-27(40)15-33-12-18-7-20-9-21(14-33)34(20,13-18)17-33/h4-6,8,10-11,16,18,20-21H,7,9,12-15,17,35H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyCYXYFWBAXDATST-UHFFFAOYSA-N
MW643.84 g/mol
LogP7.83
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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide

N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide (PubChem CID 21358053) has the molecular formula C34H37N5O4S2 and a molecular weight of 643.84 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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide
PubChem CID21358053
Molecular FormulaC34H37N5O4S2
Molecular Weight643.84 g/mol
Exact Mass643.23
IUPAC NameN-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide
SMILESCOc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)CC56CC7CC8CC(C5)C8(C7)C6)c4)cs3)s2)cc(OC)c1OC
InChIInChI=1S/C34H37N5O4S2/c1-41-25-10-23(11-26(42-2)28(25)43-3)37-32-39-30(35)29(45-32)31-38-24(16-44-31)19-5-4-6-22(8-19)36-27(40)15-33-12-18-7-20-9-21(14-33)34(20,13-18)17-33/h4-6,8,10-11,16,18,20-21H,7,9,12-15,17,35H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyCYXYFWBAXDATST-UHFFFAOYSA-N
XLogP7.83
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.84
LogP ≤ 57.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)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
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
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
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
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
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357966
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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide (CID 21358053) is N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide is COc1cc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)CC56CC7CC8CC(C5)C8(C7)C6)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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide?
The InChIKey is CYXYFWBAXDATST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4S2/c1-41-25-10-23(11-26(42-2)28(25)43-3)37-32-39-30(35)29(45-32)31-38-24(16-44-31)19-5-4-6-22(8-19)36-27(40)15-33-12-18-7-20-9-21(14-33)34(20,13-18)17-33/h4-6,8,10-11,16,18,20-21H,7,9,12-15,17,35H2,1-3H3,(H,36,40)(H,37,39).
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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide?
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide has a molecular weight of 643.84 g/mol, XLogP of 7.83, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetamide is sourced from PubChem (CID 21358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).