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

C12H14N2OS — CID 39205098

IUPACN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
SMILESCNc1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)7-15-11-5-3-10(13-2)4-6-11/h3-6,8,13H,7H2,1-2H3
InChIKeyBGJVHAVZRPIZOT-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds4

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

N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline (PubChem CID 39205098) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
PubChem CID39205098
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
SMILESCNc1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)7-15-11-5-3-10(13-2)4-6-11/h3-6,8,13H,7H2,1-2H3
InChIKeyBGJVHAVZRPIZOT-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
N-(3-fluorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094316
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
4-[(5-bromothiophen-3-yl)methoxy]-N-methylaniline
CID 61026935
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline (CID 39205098) is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline is CNc1ccc(OCc2nc(C)cs2)cc1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline?
The InChIKey is BGJVHAVZRPIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-8-16-12(14-9)7-15-11-5-3-10(13-2)4-6-11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline?
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline has a molecular weight of 234.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline is sourced from PubChem (CID 39205098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).