2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline

C11H12N2OS — CID 107507057

IUPAC2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
SMILESCOCc1csc(-c2ccccc2N)n1
InChIInChI=1S/C11H12N2OS/c1-14-6-8-7-15-11(13-8)9-4-2-3-5-10(9)12/h2-5,7H,6,12H2,1H3
InChIKeyHCQKPGUPPVUYNK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.54
Rot. Bonds3

About 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline

2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline (PubChem CID 107507057) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
PubChem CID107507057
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
SMILESCOCc1csc(-c2ccccc2N)n1
InChIInChI=1S/C11H12N2OS/c1-14-6-8-7-15-11(13-8)9-4-2-3-5-10(9)12/h2-5,7H,6,12H2,1H3
InChIKeyHCQKPGUPPVUYNK-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.54
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

2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
CID 167839205
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
4-(methoxymethyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 107511797
2-(3-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512025
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
4-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-amine
CID 162386865
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 107507037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline (CID 107507057) is 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline is COCc1csc(-c2ccccc2N)n1.
What is the InChIKey of 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is HCQKPGUPPVUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-6-8-7-15-11(13-8)9-4-2-3-5-10(9)12/h2-5,7H,6,12H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline?
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 220.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 107507057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).