2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

C14H12N2O2S2 — CID 1482058

IUPAC2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-18-10-4-2-9(3-5-10)11-7-19-13(15-11)6-14-16-12(17)8-20-14/h2-5,7-8,17H,6H2,1H3
InChIKeyDEWUTGDSFKAZLQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds4

About 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (PubChem CID 1482058) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
PubChem CID1482058
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-18-10-4-2-9(3-5-10)11-7-19-13(15-11)6-14-16-12(17)8-20-14/h2-5,7-8,17H,6H2,1H3
InChIKeyDEWUTGDSFKAZLQ-UHFFFAOYSA-N
XLogP3.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (CID 1482058) is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is COc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The InChIKey is DEWUTGDSFKAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-18-10-4-2-9(3-5-10)11-7-19-13(15-11)6-14-16-12(17)8-20-14/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol has a molecular weight of 304.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1482058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).