4-chloro-2-pentoxy-1,3-thiazole

C8H12ClNOS — CID 83152735

IUPAC4-chloro-2-pentoxy-1,3-thiazole
SMILESCCCCCOc1nc(Cl)cs1
InChIInChI=1S/C8H12ClNOS/c1-2-3-4-5-11-8-10-7(9)6-12-8/h6H,2-5H2,1H3
InChIKeyGSSRATSYHSTVJZ-UHFFFAOYSA-N
MW205.71 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-2-pentoxy-1,3-thiazole

4-chloro-2-pentoxy-1,3-thiazole (PubChem CID 83152735) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 4-chloro-2-pentoxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-pentoxy-1,3-thiazole
PubChem CID83152735
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name4-chloro-2-pentoxy-1,3-thiazole
SMILESCCCCCOc1nc(Cl)cs1
InChIInChI=1S/C8H12ClNOS/c1-2-3-4-5-11-8-10-7(9)6-12-8/h6H,2-5H2,1H3
InChIKeyGSSRATSYHSTVJZ-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole
CID 83153468
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
CID 59523103
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
3-chloro-4-pentoxy-1,2,5-thiadiazole
CID 10703512
4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine
CID 83152792
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-butoxy-1,3-thiazole;propane
CID 143891119
1,2,3,4,5-pentachloro-6-octoxybenzene
CID 19820106
4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole
CID 83153099

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pentoxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-pentoxy-1,3-thiazole (CID 83152735) is 4-chloro-2-pentoxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-pentoxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-pentoxy-1,3-thiazole is CCCCCOc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-pentoxy-1,3-thiazole?
The InChIKey is GSSRATSYHSTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-2-3-4-5-11-8-10-7(9)6-12-8/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-2-pentoxy-1,3-thiazole?
4-chloro-2-pentoxy-1,3-thiazole has a molecular weight of 205.71 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pentoxy-1,3-thiazole is sourced from PubChem (CID 83152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).