1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

C18H21N5O3S — CID 72713294

IUPAC1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H](C)COC)nc2s1
InChIInChI=1S/C18H21N5O3S/c1-4-20-17(24)23-18-21-14-8-13(12-6-5-7-19-9-12)15(22-16(14)27-18)26-11(2)10-25-3/h5-9,11H,4,10H2,1-3H3,(H2,20,21,23,24)/t11-/m0/s1
InChIKeyZYWCKTAEIKXDMD-NSHDSACASA-N
MW387.47 g/mol
LogP3.31
Rot. Bonds7

About 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713294) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID72713294
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H](C)COC)nc2s1
InChIInChI=1S/C18H21N5O3S/c1-4-20-17(24)23-18-21-14-8-13(12-6-5-7-19-9-12)15(22-16(14)27-18)26-11(2)10-25-3/h5-9,11H,4,10H2,1-3H3,(H2,20,21,23,24)/t11-/m0/s1
InChIKeyZYWCKTAEIKXDMD-NSHDSACASA-N
XLogP3.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713294) is 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H](C)COC)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is ZYWCKTAEIKXDMD-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-4-20-17(24)23-18-21-14-8-13(12-6-5-7-19-9-12)15(22-16(14)27-18)26-11(2)10-25-3/h5-9,11H,4,10H2,1-3H3,(H2,20,21,23,24)/t11-/m0/s1.
What are the key properties of 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 387.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[(2S)-1-methoxypropan-2-yl]oxy-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).