2-ethyl-4-pentyl-1,3-thiazole

C10H17NS — CID 130290438

IUPAC2-ethyl-4-pentyl-1,3-thiazole
SMILESCCCCCc1csc(CC)n1
InChIInChI=1S/C10H17NS/c1-3-5-6-7-9-8-12-10(4-2)11-9/h8H,3-7H2,1-2H3
InChIKeyMVMTVUWKJZKZKQ-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.44
Rot. Bonds5

About 2-ethyl-4-pentyl-1,3-thiazole

2-ethyl-4-pentyl-1,3-thiazole (PubChem CID 130290438) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-ethyl-4-pentyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-pentyl-1,3-thiazole
PubChem CID130290438
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-ethyl-4-pentyl-1,3-thiazole
SMILESCCCCCc1csc(CC)n1
InChIInChI=1S/C10H17NS/c1-3-5-6-7-9-8-12-10(4-2)11-9/h8H,3-7H2,1-2H3
InChIKeyMVMTVUWKJZKZKQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
2-octyl-4-propyl-1,3-thiazole
CID 86124626
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole
CID 129076363
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-pentyl-1,3-thiazole?
The IUPAC name of 2-ethyl-4-pentyl-1,3-thiazole (CID 130290438) is 2-ethyl-4-pentyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-pentyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-pentyl-1,3-thiazole is CCCCCc1csc(CC)n1.
What is the InChIKey of 2-ethyl-4-pentyl-1,3-thiazole?
The InChIKey is MVMTVUWKJZKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-6-7-9-8-12-10(4-2)11-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-4-pentyl-1,3-thiazole?
2-ethyl-4-pentyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-pentyl-1,3-thiazole is sourced from PubChem (CID 130290438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).