5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one

C15H16N2OS2 — CID 115886597

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCC(C)(C)c1csc(Cn2ccc3sccc3c2=O)n1
InChIInChI=1S/C15H16N2OS2/c1-15(2,3)12-9-20-13(16-12)8-17-6-4-11-10(14(17)18)5-7-19-11/h4-7,9H,8H2,1-3H3
InChIKeyRQEQELDQKKSFKB-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.87
Rot. Bonds2

About 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115886597) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID115886597
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCC(C)(C)c1csc(Cn2ccc3sccc3c2=O)n1
InChIInChI=1S/C15H16N2OS2/c1-15(2,3)12-9-20-13(16-12)8-17-6-4-11-10(14(17)18)5-7-19-11/h4-7,9H,8H2,1-3H3
InChIKeyRQEQELDQKKSFKB-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
CID 126773472
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687910
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
CID 114935834
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625212
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793763
2-[(4-bromoindol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 116626215
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985821
5-[(4-amino-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115911994
5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886573
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 115886597) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one is CC(C)(C)c1csc(Cn2ccc3sccc3c2=O)n1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is RQEQELDQKKSFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-15(2,3)12-9-20-13(16-12)8-17-6-4-11-10(14(17)18)5-7-19-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115886597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).