2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole

C15H19NOS — CID 59286698

IUPAC2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2cnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C15H19NOS/c1-15(2,3)14-16-10-13(18-14)9-11-5-7-12(17-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyWHWDPUHDKIONDG-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.04
Rot. Bonds3

About 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole

2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole (PubChem CID 59286698) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole
PubChem CID59286698
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2cnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C15H19NOS/c1-15(2,3)14-16-10-13(18-14)9-11-5-7-12(17-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyWHWDPUHDKIONDG-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole (CID 59286698) is 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole is COc1ccc(Cc2cnc(C(C)(C)C)s2)cc1.
What is the InChIKey of 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is WHWDPUHDKIONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-15(2,3)14-16-10-13(18-14)9-11-5-7-12(17-4)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole?
2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 261.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 59286698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).