2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole

C9H9ClN2S2 — CID 130978362

IUPAC2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1csc(-c2nnc(CCCl)s2)c1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-7(13-5-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3H2,1H3
InChIKeyXJTRVSWANRJKHY-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole

2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 130978362) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID130978362
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1csc(-c2nnc(CCCl)s2)c1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-7(13-5-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3H2,1H3
InChIKeyXJTRVSWANRJKHY-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-4-methylthiophen-2-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 79996522
4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol
CID 106503495
2-(2-chloroethyl)-5-(3-chloro-4-iodophenyl)-1,3,4-thiadiazole
CID 103213271
2-(2-chloroethyl)-5-(4-methylsulfanylphenyl)-1,3,4-thiadiazole
CID 79206364
2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344433
2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 131047818
2-(5-bromo-1-methylpyrazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130743853
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
2-(5-bromo-3-methyltriazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130597616
3-[5-(2-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106864411
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole (CID 130978362) is 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole is Cc1csc(-c2nnc(CCCl)s2)c1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is XJTRVSWANRJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-6-4-7(13-5-6)9-12-11-8(14-9)2-3-10/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole?
2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 244.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 130978362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).