4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C11H12N2OS — CID 60685427

IUPAC4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-11-4-2-9(3-5-11)12-6-10-7-15-8-13-10/h2-5,7-8,12H,6H2,1H3
InChIKeyAVEYKCWTYKVLGS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.76
Rot. Bonds4

About 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60685427) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60685427
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-11-4-2-9(3-5-11)12-6-10-7-15-8-13-10/h2-5,7-8,12H,6H2,1H3
InChIKeyAVEYKCWTYKVLGS-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.76
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

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
5-methoxy-3-N-(1,3-thiazol-4-ylmethyl)benzene-1,3-diamine
CID 80735351
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 86817496
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
N-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 90956570
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60685427) is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1ccc(NCc2cscn2)cc1.
What is the InChIKey of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is AVEYKCWTYKVLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-11-4-2-9(3-5-11)12-6-10-7-15-8-13-10/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 220.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60685427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).