4-(1-chloropentan-3-yl)thiadiazole

C7H11ClN2S — CID 174275082

IUPAC4-(1-chloropentan-3-yl)thiadiazole
SMILESCCC(CCCl)c1csnn1
InChIInChI=1S/C7H11ClN2S/c1-2-6(3-4-8)7-5-11-10-9-7/h5-6H,2-4H2,1H3
InChIKeyDSSBBVRFSAQPNH-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.66
Rot. Bonds4

About 4-(1-chloropentan-3-yl)thiadiazole

4-(1-chloropentan-3-yl)thiadiazole (PubChem CID 174275082) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 4-(1-chloropentan-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(1-chloropentan-3-yl)thiadiazole
PubChem CID174275082
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name4-(1-chloropentan-3-yl)thiadiazole
SMILESCCC(CCCl)c1csnn1
InChIInChI=1S/C7H11ClN2S/c1-2-6(3-4-8)7-5-11-10-9-7/h5-6H,2-4H2,1H3
InChIKeyDSSBBVRFSAQPNH-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isobutylthiadiazole
CID 118148363
4-Butan-2-ylthiadiazole
CID 89062266
4-(3-Chloropropyl)-1,2,3-thiadiazole
CID 130550084
4-(3-Methylbutyl)thiadiazole
CID 138606593
4-(2-Methylbutan-2-yl)thiadiazole
CID 142062916
4-(3-Methylbutan-2-yl)thiadiazole
CID 148804206
1,2-Dichloroethane;4-propan-2-ylthiadiazole
CID 160851276
4-Pent-1-yn-3-ylthiadiazole
CID 173036432
4-(2-Chlorocyclohexyl)thiadiazole
CID 129988239
4-[(2-Chlorocyclohexyl)methyl]thiadiazole
CID 130549780
4-[(2-Chlorocycloheptyl)methyl]thiadiazole
CID 130549782
4-[(2-Chloro-5-methylcyclohexyl)methyl]thiadiazole
CID 130549783

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropentan-3-yl)thiadiazole?
The IUPAC name of 4-(1-chloropentan-3-yl)thiadiazole (CID 174275082) is 4-(1-chloropentan-3-yl)thiadiazole.
What is the SMILES notation for 4-(1-chloropentan-3-yl)thiadiazole?
The canonical SMILES for 4-(1-chloropentan-3-yl)thiadiazole is CCC(CCCl)c1csnn1.
What is the InChIKey of 4-(1-chloropentan-3-yl)thiadiazole?
The InChIKey is DSSBBVRFSAQPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-2-6(3-4-8)7-5-11-10-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 4-(1-chloropentan-3-yl)thiadiazole?
4-(1-chloropentan-3-yl)thiadiazole has a molecular weight of 190.70 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropentan-3-yl)thiadiazole is sourced from PubChem (CID 174275082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).