2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole

C11H9NO3S — CID 116891760

IUPAC2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
SMILESCOc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C11H9NO3S/c1-13-10-5-16-11(12-10)7-2-3-8-9(4-7)15-6-14-8/h2-5H,6H2,1H3
InChIKeyGRGPINLGOJFMLI-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.55
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole

2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole (PubChem CID 116891760) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
PubChem CID116891760
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
SMILESCOc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C11H9NO3S/c1-13-10-5-16-11(12-10)7-2-3-8-9(4-7)15-6-14-8/h2-5H,6H2,1H3
InChIKeyGRGPINLGOJFMLI-UHFFFAOYSA-N
XLogP2.55
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61280300
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
4-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole
CID 154741223
2-(1,3-benzodioxol-5-yl)-4-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfinylmethyl]-1,3-thiazole
CID 167982842
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole (CID 116891760) is 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole is COc1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole?
The InChIKey is GRGPINLGOJFMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-13-10-5-16-11(12-10)7-2-3-8-9(4-7)15-6-14-8/h2-5H,6H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole?
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole has a molecular weight of 235.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole is sourced from PubChem (CID 116891760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).