N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline

C17H16N2OS — CID 60688412

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
SMILESCc1nc(CNc2cccc(Oc3ccccc3)c2)cs1
InChIInChI=1S/C17H16N2OS/c1-13-19-15(12-21-13)11-18-14-6-5-9-17(10-14)20-16-7-3-2-4-8-16/h2-10,12,18H,11H2,1H3
InChIKeyLRWMGQPBFJFNPB-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.86
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline (PubChem CID 60688412) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
PubChem CID60688412
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
SMILESCc1nc(CNc2cccc(Oc3ccccc3)c2)cs1
InChIInChI=1S/C17H16N2OS/c1-13-19-15(12-21-13)11-18-14-6-5-9-17(10-14)20-16-7-3-2-4-8-16/h2-10,12,18H,11H2,1H3
InChIKeyLRWMGQPBFJFNPB-UHFFFAOYSA-N
XLogP4.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796
3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide
CID 75472563
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
CID 23042161
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
3-chloro-4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864080
2-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 115485203

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline (CID 60688412) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline is Cc1nc(CNc2cccc(Oc3ccccc3)c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline?
The InChIKey is LRWMGQPBFJFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13-19-15(12-21-13)11-18-14-6-5-9-17(10-14)20-16-7-3-2-4-8-16/h2-10,12,18H,11H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline has a molecular weight of 296.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline is sourced from PubChem (CID 60688412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).