3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide

C19H24ClF2N5O4S — CID 10051317

IUPAC3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)CCCNC(=O)Nc1snc(OCc2c(F)cc(Cl)cc2F)c1C(N)=O
InChIInChI=1S/C19H24ClF2N5O4S/c1-2-27(6-7-28)5-3-4-24-19(30)25-18-15(16(23)29)17(26-32-18)31-10-12-13(21)8-11(20)9-14(12)22/h8-9,28H,2-7,10H2,1H3,(H2,23,29)(H2,24,25,30)
InChIKeyROIOMFUCLSYPIL-UHFFFAOYSA-N
MW491.95 g/mol
LogP2.58
Rot. Bonds12

About 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide

3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide (PubChem CID 10051317) has the molecular formula C19H24ClF2N5O4S and a molecular weight of 491.95 g/mol. Its IUPAC name is 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide
PubChem CID10051317
Molecular FormulaC19H24ClF2N5O4S
Molecular Weight491.95 g/mol
Exact Mass491.12
IUPAC Name3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)CCCNC(=O)Nc1snc(OCc2c(F)cc(Cl)cc2F)c1C(N)=O
InChIInChI=1S/C19H24ClF2N5O4S/c1-2-27(6-7-28)5-3-4-24-19(30)25-18-15(16(23)29)17(26-32-18)31-10-12-13(21)8-11(20)9-14(12)22/h8-9,28H,2-7,10H2,1H3,(H2,23,29)(H2,24,25,30)
InChIKeyROIOMFUCLSYPIL-UHFFFAOYSA-N
XLogP2.58
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide (CID 10051317) is 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide is CCN(CCO)CCCNC(=O)Nc1snc(OCc2c(F)cc(Cl)cc2F)c1C(N)=O.
What is the InChIKey of 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is ROIOMFUCLSYPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF2N5O4S/c1-2-27(6-7-28)5-3-4-24-19(30)25-18-15(16(23)29)17(26-32-18)31-10-12-13(21)8-11(20)9-14(12)22/h8-9,28H,2-7,10H2,1H3,(H2,23,29)(H2,24,25,30).
What are the key properties of 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide?
3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 491.95 g/mol, XLogP of 2.58, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-[ethyl(2-hydroxyethyl)amino]propylcarbamoylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 10051317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).