4-benzyl-1,3-thiazole

C10H9NS — CID 19757624

IUPAC4-benzyl-1,3-thiazole
SMILESc1ccc(Cc2cscn2)cc1
InChIInChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,7-8H,6H2
InChIKeyJRPCAQCMKLEXSD-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.73
Rot. Bonds2

About 4-benzyl-1,3-thiazole

4-benzyl-1,3-thiazole (PubChem CID 19757624) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-benzyl-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-1,3-thiazole
PubChem CID19757624
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-benzyl-1,3-thiazole
SMILESc1ccc(Cc2cscn2)cc1
InChIInChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,7-8H,6H2
InChIKeyJRPCAQCMKLEXSD-UHFFFAOYSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-thiazole?
The IUPAC name of 4-benzyl-1,3-thiazole (CID 19757624) is 4-benzyl-1,3-thiazole.
What is the SMILES notation for 4-benzyl-1,3-thiazole?
The canonical SMILES for 4-benzyl-1,3-thiazole is c1ccc(Cc2cscn2)cc1.
What is the InChIKey of 4-benzyl-1,3-thiazole?
The InChIKey is JRPCAQCMKLEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,7-8H,6H2.
What are the key properties of 4-benzyl-1,3-thiazole?
4-benzyl-1,3-thiazole has a molecular weight of 175.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3-thiazole is sourced from PubChem (CID 19757624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).