N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline

C13H13ClF2N2OS — CID 168582079

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline
SMILESCc1ccc(NCc2cnc(Cl)s2)c(OCC(F)F)c1
InChIInChI=1S/C13H13ClF2N2OS/c1-8-2-3-10(11(4-8)19-7-12(15)16)17-5-9-6-18-13(14)20-9/h2-4,6,12,17H,5,7H2,1H3
InChIKeyOSEXIAUXAPJXQE-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.36
Rot. Bonds6

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline (PubChem CID 168582079) has the molecular formula C13H13ClF2N2OS and a molecular weight of 318.78 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline
PubChem CID168582079
Molecular FormulaC13H13ClF2N2OS
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline
SMILESCc1ccc(NCc2cnc(Cl)s2)c(OCC(F)F)c1
InChIInChI=1S/C13H13ClF2N2OS/c1-8-2-3-10(11(4-8)19-7-12(15)16)17-5-9-6-18-13(14)20-9/h2-4,6,12,17H,5,7H2,1H3
InChIKeyOSEXIAUXAPJXQE-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline 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-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,2-difluoroethoxy)aniline
CID 168581259
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylbenzonitrile
CID 168584120
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 168579749
tert-butyl 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-methylanilino]piperidine-1-carboxylate
CID 168582732
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-3-methoxyaniline
CID 168582107
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline (CID 168582079) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline is Cc1ccc(NCc2cnc(Cl)s2)c(OCC(F)F)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline?
The InChIKey is OSEXIAUXAPJXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2OS/c1-8-2-3-10(11(4-8)19-7-12(15)16)17-5-9-6-18-13(14)20-9/h2-4,6,12,17H,5,7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline has a molecular weight of 318.78 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline is sourced from PubChem (CID 168582079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).