N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide

C28H41N5O5S — CID 70956702

IUPACN-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C28H41N5O5S/c1-32(16-20-8-12-38-13-9-20)28-31-25(19-39-28)27(35)30-24-7-6-21(15-23(24)26(34)29-10-14-36-2)17-33-11-4-5-22(33)18-37-3/h6-7,15,19-20,22H,4-5,8-14,16-18H2,1-3H3,(H,29,34)(H,30,35)/t22-/m1/s1
InChIKeyFKRUBFOIGJTLMT-JOCHJYFZSA-N
MW559.73 g/mol
LogP3.25
Rot. Bonds13

About N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide

N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 70956702) has the molecular formula C28H41N5O5S and a molecular weight of 559.73 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID70956702
Molecular FormulaC28H41N5O5S
Molecular Weight559.73 g/mol
Exact Mass559.28
IUPAC NameN-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C28H41N5O5S/c1-32(16-20-8-12-38-13-9-20)28-31-25(19-39-28)27(35)30-24-7-6-21(15-23(24)26(34)29-10-14-36-2)17-33-11-4-5-22(33)18-37-3/h6-7,15,19-20,22H,4-5,8-14,16-18H2,1-3H3,(H,29,34)(H,30,35)/t22-/m1/s1
InChIKeyFKRUBFOIGJTLMT-JOCHJYFZSA-N
XLogP3.25
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.73
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide 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-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carboxamide
CID 70956699
2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70955193
methyl 2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]-5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 70955367
methyl 2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]-5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarboperoxoate
CID 89135944
5-[(3,3-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyethyl)-2-[[(E)-1-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-thiazol-4-yl]prop-1-enyl]amino]benzamide
CID 70870032
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67528455
5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 70955482
N-[4-[[(3S)-3-ethylmorpholin-4-yl]methyl]-2-(3-fluoropropylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70955236
N-[4-(chloromethyl)-2-(2-methoxyethylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 67527892
N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(propylcarbamoyl)phenyl]-2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 70955424
5-[(3-ethynyl-3-methylmorpholin-4-yl)methyl]-2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 89049367
N-[2-(2-methoxyethylcarbamoyl)-4-[(2-phenylpiperazin-1-yl)methyl]phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 67527797

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide (CID 70956702) is N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide is COCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CC2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is FKRUBFOIGJTLMT-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H41N5O5S/c1-32(16-20-8-12-38-13-9-20)28-31-25(19-39-28)27(35)30-24-7-6-21(15-23(24)26(34)29-10-14-36-2)17-33-11-4-5-22(33)18-37-3/h6-7,15,19-20,22H,4-5,8-14,16-18H2,1-3H3,(H,29,34)(H,30,35)/t22-/m1/s1.
What are the key properties of N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide?
N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 559.73 g/mol, XLogP of 3.25, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylcarbamoyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70956702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).