2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine

C11H12ClNO2S — CID 66243272

IUPAC2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cc(Cl)c3c(c2)OCO3)S1
InChIInChI=1S/C11H12ClNO2S/c1-6-4-13-11(16-6)7-2-8(12)10-9(3-7)14-5-15-10/h2-3,6,11,13H,4-5H2,1H3
InChIKeyNGZQFQQWTNBDNB-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.79
Rot. Bonds1

About 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine

2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine (PubChem CID 66243272) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine
PubChem CID66243272
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cc(Cl)c3c(c2)OCO3)S1
InChIInChI=1S/C11H12ClNO2S/c1-6-4-13-11(16-6)7-2-8(12)10-9(3-7)14-5-15-10/h2-3,6,11,13H,4-5H2,1H3
InChIKeyNGZQFQQWTNBDNB-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichlorophenyl)-5-methyl-1,3-thiazolidine
CID 66241836
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazinane
CID 66234676
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine
CID 66230381
4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79961739
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326
N-[[2-(7-chloro-1,3-benzodioxol-5-yl)cyclopropyl]methyl]propan-1-amine
CID 62708725
4-(7-chloro-1,3-benzodioxol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703159
(7-chloro-1,3-benzodioxol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580497
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
CID 43087529
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464221
5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine
CID 66242871

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine (CID 66243272) is 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine is CC1CNC(c2cc(Cl)c3c(c2)OCO3)S1.
What is the InChIKey of 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine?
The InChIKey is NGZQFQQWTNBDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c1-6-4-13-11(16-6)7-2-8(12)10-9(3-7)14-5-15-10/h2-3,6,11,13H,4-5H2,1H3.
What are the key properties of 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine?
2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine has a molecular weight of 257.74 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 66243272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).