4-butyl-1,3-thiazole

C7H11NS — CID 567305

IUPAC4-butyl-1,3-thiazole
SMILESCCCCc1cscn1
InChIInChI=1S/C7H11NS/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
InChIKeyFXVDDYOQIPLCAV-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.49
Rot. Bonds3

About 4-butyl-1,3-thiazole

4-butyl-1,3-thiazole (PubChem CID 567305) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-butyl-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-1,3-thiazole
PubChem CID567305
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-butyl-1,3-thiazole
SMILESCCCCc1cscn1
InChIInChI=1S/C7H11NS/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
InChIKeyFXVDDYOQIPLCAV-UHFFFAOYSA-N
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-1,3-thiazole
CID 207282
2-Ethyl-4-propylthiazole
CID 53754611
4-Butyl-2-methylthiazole
CID 574804
2,4-Dipropylthiazole
CID 588182
4-tert-Butylthiazole
CID 581111
2-Butyl-4-propylthiazole
CID 55295885
4-Propylthiazole
CID 39070
2-Methyl-4-propylthiazole
CID 39071
4-Cyclopropyl-1,3-thiazole
CID 49758210
2-Pentyl-4-propylthiazole
CID 55271530
Thiazole, 2-octyl-4-propyl-
CID 86124626
2-Methyl-4-octyl-1,3-thiazole
CID 11769783

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-thiazole?
The IUPAC name of 4-butyl-1,3-thiazole (CID 567305) is 4-butyl-1,3-thiazole.
What is the SMILES notation for 4-butyl-1,3-thiazole?
The canonical SMILES for 4-butyl-1,3-thiazole is CCCCc1cscn1.
What is the InChIKey of 4-butyl-1,3-thiazole?
The InChIKey is FXVDDYOQIPLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3.
What are the key properties of 4-butyl-1,3-thiazole?
4-butyl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-thiazole is sourced from PubChem (CID 567305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).