5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C12H20ClN3OS — CID 82701825

IUPAC5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(OCCCl)CC2)n1
InChIInChI=1S/C12H20ClN3OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8H2,1-2H3
InChIKeyPGFUYOXIKSKEPT-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.89
Rot. Bonds5

About 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 82701825) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID82701825
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC(OCCCl)CC2)n1
InChIInChI=1S/C12H20ClN3OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8H2,1-2H3
InChIKeyPGFUYOXIKSKEPT-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-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

[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65280695
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 100743335
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
3-[4-(2-chloroethoxy)piperidin-1-yl]-6-methylpyridazine
CID 82701305
3-tert-butyl-5-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493966
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
CID 82701379

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 82701825) is 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCC(OCCCl)CC2)n1.
What is the InChIKey of 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is PGFUYOXIKSKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3OS/c1-9(2)11-14-12(18-15-11)16-6-3-10(4-7-16)17-8-5-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 289.83 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 82701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).