2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine

C17H18N2OS — CID 58088073

IUPAC2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2ccc(OCc3ccccc3)nc2s1
InChIInChI=1S/C17H18N2OS/c1-17(2,3)16-18-13-9-10-14(19-15(13)21-16)20-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyZCUXSHMJEODHRN-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.57
Rot. Bonds3

About 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine

2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 58088073) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
PubChem CID58088073
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2ccc(OCc3ccccc3)nc2s1
InChIInChI=1S/C17H18N2OS/c1-17(2,3)16-18-13-9-10-14(19-15(13)21-16)20-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyZCUXSHMJEODHRN-UHFFFAOYSA-N
XLogP4.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine
CID 102546175
3-phenyl-5-phenylmethoxyimidazo[4,5-b]pyridine
CID 67312864
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
ethyl-dimethyl-(6-phenylmethoxy-3-pyridinyl)silane
CID 139820510
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
4-methyl-6-phenylmethoxy-1,5-naphthyridine-3-carboxamide
CID 71152977
CID 143877823
CID 143877823
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine (CID 58088073) is 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine is CC(C)(C)c1nc2ccc(OCc3ccccc3)nc2s1.
What is the InChIKey of 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ZCUXSHMJEODHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-17(2,3)16-18-13-9-10-14(19-15(13)21-16)20-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine?
2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 298.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 58088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).