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

C18H20N6O2S — CID 72713300

IUPAC1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(N[C@H]3CCOC3)nc2s1
InChIInChI=1S/C18H20N6O2S/c1-2-20-17(25)24-18-22-14-8-13(11-4-3-6-19-9-11)15(23-16(14)27-18)21-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,21,23)(H2,20,22,24,25)/t12-/m0/s1
InChIKeyWWAUHTCZLNXGEF-LBPRGKRZSA-N
MW384.47 g/mol
LogP3.10
Rot. Bonds5

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

1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713300) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID72713300
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(N[C@H]3CCOC3)nc2s1
InChIInChI=1S/C18H20N6O2S/c1-2-20-17(25)24-18-22-14-8-13(11-4-3-6-19-9-11)15(23-16(14)27-18)21-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,21,23)(H2,20,22,24,25)/t12-/m0/s1
InChIKeyWWAUHTCZLNXGEF-LBPRGKRZSA-N
XLogP3.10
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713300) is 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(N[C@H]3CCOC3)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is WWAUHTCZLNXGEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-2-20-17(25)24-18-22-14-8-13(11-4-3-6-19-9-11)15(23-16(14)27-18)21-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,21,23)(H2,20,22,24,25)/t12-/m0/s1.
What are the key properties of 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 384.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[[(3S)-oxolan-3-yl]amino]-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).