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

C10H6ClNO2S — CID 116892273

IUPAC2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
SMILESClc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C10H6ClNO2S/c11-9-4-15-10(12-9)6-1-2-7-8(3-6)14-5-13-7/h1-4H,5H2
InChIKeyYDPMBXPSVONNFU-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.19
Rot. Bonds1

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

2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole (PubChem CID 116892273) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
PubChem CID116892273
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
SMILESClc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C10H6ClNO2S/c11-9-4-15-10(12-9)6-1-2-7-8(3-6)14-5-13-7/h1-4H,5H2
InChIKeyYDPMBXPSVONNFU-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
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
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61280300
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
4-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole
CID 154741223
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
2-(7-chloro-1,3-benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
CID 43143705

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole (CID 116892273) is 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole is Clc1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole?
The InChIKey is YDPMBXPSVONNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-9-4-15-10(12-9)6-1-2-7-8(3-6)14-5-13-7/h1-4H,5H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole?
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole has a molecular weight of 239.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole is sourced from PubChem (CID 116892273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).