[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol

C17H20N4O2S2 — CID 22971186

IUPAC[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccc(CO)cn3)s2)o1
InChIInChI=1S/C17H20N4O2S2/c1-17(2,3)12-7-19-14(23-12)10-24-15-8-20-16(25-15)21-13-5-4-11(9-22)6-18-13/h4-8,22H,9-10H2,1-3H3,(H,18,20,21)
InChIKeyLADFGABRTSFKAM-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.35
Rot. Bonds6

About [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol

[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol (PubChem CID 22971186) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol
PubChem CID22971186
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3ccc(CO)cn3)s2)o1
InChIInChI=1S/C17H20N4O2S2/c1-17(2,3)12-7-19-14(23-12)10-24-15-8-20-16(25-15)21-13-5-4-11(9-22)6-18-13/h4-8,22H,9-10H2,1-3H3,(H,18,20,21)
InChIKeyLADFGABRTSFKAM-UHFFFAOYSA-N
XLogP4.35
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol?
The IUPAC name of [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol (CID 22971186) is [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol is CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(CO)cn3)s2)o1.
What is the InChIKey of [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol?
The InChIKey is LADFGABRTSFKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-17(2,3)12-7-19-14(23-12)10-24-15-8-20-16(25-15)21-13-5-4-11(9-22)6-18-13/h4-8,22H,9-10H2,1-3H3,(H,18,20,21).
What are the key properties of [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol?
[6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol has a molecular weight of 376.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 22971186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).