5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline

C18H18N2OS — CID 94758883

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline
SMILESCc1cnc(Cc2ccc(OCc3ccccc3)c(N)c2)s1
InChIInChI=1S/C18H18N2OS/c1-13-11-20-18(22-13)10-15-7-8-17(16(19)9-15)21-12-14-5-3-2-4-6-14/h2-9,11H,10,12,19H2,1H3
InChIKeyNNMPYKRCVVDDAA-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.20
Rot. Bonds5

About 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline

5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline (PubChem CID 94758883) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline
PubChem CID94758883
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline
SMILESCc1cnc(Cc2ccc(OCc3ccccc3)c(N)c2)s1
InChIInChI=1S/C18H18N2OS/c1-13-11-20-18(22-13)10-15-7-8-17(16(19)9-15)21-12-14-5-3-2-4-6-14/h2-9,11H,10,12,19H2,1H3
InChIKeyNNMPYKRCVVDDAA-UHFFFAOYSA-N
XLogP4.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine
CID 11026315
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
CID 82257717
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)aniline
CID 139501105
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
ethyl 3-(2-methoxy-5-phenylmethoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)prop-2-enoate
CID 123669003
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline (CID 94758883) is 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline is Cc1cnc(Cc2ccc(OCc3ccccc3)c(N)c2)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline?
The InChIKey is NNMPYKRCVVDDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-11-20-18(22-13)10-15-7-8-17(16(19)9-15)21-12-14-5-3-2-4-6-14/h2-9,11H,10,12,19H2,1H3.
What are the key properties of 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline?
5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline has a molecular weight of 310.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline is sourced from PubChem (CID 94758883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).