4-benzyl-5-(2-methylpropyl)-1,3-thiazole

C14H17NS — CID 54324335

IUPAC4-benzyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1scnc1Cc1ccccc1
InChIInChI=1S/C14H17NS/c1-11(2)8-14-13(15-10-16-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyPGXKHNAVMQPXIT-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.93
Rot. Bonds4

About 4-benzyl-5-(2-methylpropyl)-1,3-thiazole

4-benzyl-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 54324335) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-benzyl-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-5-(2-methylpropyl)-1,3-thiazole
PubChem CID54324335
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4-benzyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1scnc1Cc1ccccc1
InChIInChI=1S/C14H17NS/c1-11(2)8-14-13(15-10-16-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyPGXKHNAVMQPXIT-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-benzyl-5-(2-methylpropyl)-1,3-thiazole (CID 54324335) is 4-benzyl-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-benzyl-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-benzyl-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1scnc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is PGXKHNAVMQPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11(2)8-14-13(15-10-16-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-benzyl-5-(2-methylpropyl)-1,3-thiazole?
4-benzyl-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 231.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 54324335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).