2-(2-chloropentyl)-4-ethyl-1,3-thiazole

C10H16ClNS — CID 63203067

IUPAC2-(2-chloropentyl)-4-ethyl-1,3-thiazole
SMILESCCCC(Cl)Cc1nc(CC)cs1
InChIInChI=1S/C10H16ClNS/c1-3-5-8(11)6-10-12-9(4-2)7-13-10/h7-8H,3-6H2,1-2H3
InChIKeySTWXXMSSVUPWEJ-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-chloropentyl)-4-ethyl-1,3-thiazole

2-(2-chloropentyl)-4-ethyl-1,3-thiazole (PubChem CID 63203067) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 2-(2-chloropentyl)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloropentyl)-4-ethyl-1,3-thiazole
PubChem CID63203067
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name2-(2-chloropentyl)-4-ethyl-1,3-thiazole
SMILESCCCC(Cl)Cc1nc(CC)cs1
InChIInChI=1S/C10H16ClNS/c1-3-5-8(11)6-10-12-9(4-2)7-13-10/h7-8H,3-6H2,1-2H3
InChIKeySTWXXMSSVUPWEJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol
CID 63201551
N-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
CID 63202023
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
1-cyclopropyl-N-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 63355477
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
CID 122463121

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentyl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(2-chloropentyl)-4-ethyl-1,3-thiazole (CID 63203067) is 2-(2-chloropentyl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloropentyl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloropentyl)-4-ethyl-1,3-thiazole is CCCC(Cl)Cc1nc(CC)cs1.
What is the InChIKey of 2-(2-chloropentyl)-4-ethyl-1,3-thiazole?
The InChIKey is STWXXMSSVUPWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-3-5-8(11)6-10-12-9(4-2)7-13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-chloropentyl)-4-ethyl-1,3-thiazole?
2-(2-chloropentyl)-4-ethyl-1,3-thiazole has a molecular weight of 217.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentyl)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 63203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).