2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole

C13H12N4OS — CID 71986343

IUPAC2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCc1nc(COc2cccc(-n3cncn3)c2)cs1
InChIInChI=1S/C13H12N4OS/c1-10-16-11(7-19-10)6-18-13-4-2-3-12(5-13)17-9-14-8-15-17/h2-5,7-9H,6H2,1H3
InChIKeyUJWCAFJNSKZQAB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole

2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 71986343) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID71986343
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCc1nc(COc2cccc(-n3cncn3)c2)cs1
InChIInChI=1S/C13H12N4OS/c1-10-16-11(7-19-10)6-18-13-4-2-3-12(5-13)17-9-14-8-15-17/h2-5,7-9H,6H2,1H3
InChIKeyUJWCAFJNSKZQAB-UHFFFAOYSA-N
XLogP2.61
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 26129842
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
1-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-1,2,4-triazole
CID 166214261
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
3-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 71986351
5-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479656
2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
CID 23042161
N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55689158
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 71986343) is 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole is Cc1nc(COc2cccc(-n3cncn3)c2)cs1.
What is the InChIKey of 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is UJWCAFJNSKZQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-10-16-11(7-19-10)6-18-13-4-2-3-12(5-13)17-9-14-8-15-17/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 272.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 71986343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).