3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide

C20H25Cl2N5O4S — CID 70200211

IUPAC3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNC(=O)Nc1snc(OC(Cl)(Cl)c2ccccc2)c1C(N)=O)CN1CCOCC1
InChIInChI=1S/C20H25Cl2N5O4S/c1-13(12-27-7-9-30-10-8-27)11-24-19(29)25-18-15(16(23)28)17(26-32-18)31-20(21,22)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,23,28)(H2,24,25,29)
InChIKeyIORCQIOVSPEGHR-UHFFFAOYSA-N
MW502.42 g/mol
LogP3.00
Rot. Bonds9

About 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide

3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide (PubChem CID 70200211) has the molecular formula C20H25Cl2N5O4S and a molecular weight of 502.42 g/mol. Its IUPAC name is 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
PubChem CID70200211
Molecular FormulaC20H25Cl2N5O4S
Molecular Weight502.42 g/mol
Exact Mass501.10
IUPAC Name3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNC(=O)Nc1snc(OC(Cl)(Cl)c2ccccc2)c1C(N)=O)CN1CCOCC1
InChIInChI=1S/C20H25Cl2N5O4S/c1-13(12-27-7-9-30-10-8-27)11-24-19(29)25-18-15(16(23)28)17(26-32-18)31-20(21,22)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,23,28)(H2,24,25,29)
InChIKeyIORCQIOVSPEGHR-UHFFFAOYSA-N
XLogP3.00
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-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

3-[(2,4-dimethylphenyl)methoxy]-5-[(2-hydroxy-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54140611
3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54266523
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[(4-hydroxy-5-morpholin-4-ylpentyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54355050
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
3-[(2-fluoro-4-methoxyphenyl)methoxy]-5-(4-morpholin-4-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54302571
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54354550
5-[2-(butan-2-ylamino)ethylcarbamoylamino]-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68507353
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
4-[[4-carbamoyl-5-(2-methylpropylcarbamoylamino)-1,2-thiazol-3-yl]-sulfanylmethyl]benzoic acid
CID 18550940
3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[(5-hydroxy-6-morpholin-4-ylhexyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid
CID 18550007

Frequently Asked Questions

What is the IUPAC name of 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide (CID 70200211) is 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide is CC(CNC(=O)Nc1snc(OC(Cl)(Cl)c2ccccc2)c1C(N)=O)CN1CCOCC1.
What is the InChIKey of 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is IORCQIOVSPEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O4S/c1-13(12-27-7-9-30-10-8-27)11-24-19(29)25-18-15(16(23)28)17(26-32-18)31-20(21,22)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,23,28)(H2,24,25,29).
What are the key properties of 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide?
3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 502.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro(phenyl)methoxy]-5-[(2-methyl-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 70200211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).