2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole

C12H11ClN2OS — CID 80606126

IUPAC2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H11ClN2OS/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2
InChIKeyNCANQCBLAXPALO-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole

2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole (PubChem CID 80606126) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
PubChem CID80606126
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H11ClN2OS/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2
InChIKeyNCANQCBLAXPALO-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole 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-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
CID 80609998
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
CID 79774116
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazole-5-carbaldehyde
CID 82301125
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridine
CID 79241095
2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 126012484
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 39401349
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine
CID 62193615
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole (CID 80606126) is 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole is Clc1nnc(COc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole?
The InChIKey is NCANQCBLAXPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-12-15-14-11(17-12)7-16-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2.
What are the key properties of 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole?
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole has a molecular weight of 266.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 80606126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).