methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

C15H15N3O5S — CID 124875567

IUPACmethyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccnc2O[C@H]2CCOC2)s1
InChIInChI=1S/C15H15N3O5S/c1-21-14(20)11-7-17-15(24-11)18-12(19)10-3-2-5-16-13(10)23-9-4-6-22-8-9/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyHIWKWRNBYICMBG-VIFPVBQESA-N
MW349.37 g/mol
LogP1.74
Rot. Bonds5

About methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 124875567) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID124875567
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Namemethyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccnc2O[C@H]2CCOC2)s1
InChIInChI=1S/C15H15N3O5S/c1-21-14(20)11-7-17-15(24-11)18-12(19)10-3-2-5-16-13(10)23-9-4-6-22-8-9/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyHIWKWRNBYICMBG-VIFPVBQESA-N
XLogP1.74
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 124875567) is methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cccnc2O[C@H]2CCOC2)s1.
What is the InChIKey of methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is HIWKWRNBYICMBG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-21-14(20)11-7-17-15(24-11)18-12(19)10-3-2-5-16-13(10)23-9-4-6-22-8-9/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18,19)/t9-/m0/s1.
What are the key properties of methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 349.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 124875567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).