methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

C15H15N3O4S2 — CID 71739752

IUPACmethyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(c2cccc(C3=N[C@H](C(=O)OC)CS3)n2)=N1
InChIInChI=1S/C15H15N3O4S2/c1-21-14(19)10-6-23-12(17-10)8-4-3-5-9(16-8)13-18-11(7-24-13)15(20)22-2/h3-5,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyIATTXCXBJBTARQ-QWRGUYRKSA-N
MW365.44 g/mol
LogP1.15
Rot. Bonds4

About methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate

methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 71739752) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID71739752
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Namemethyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(c2cccc(C3=N[C@H](C(=O)OC)CS3)n2)=N1
InChIInChI=1S/C15H15N3O4S2/c1-21-14(19)10-6-23-12(17-10)8-4-3-5-9(16-8)13-18-11(7-24-13)15(20)22-2/h3-5,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyIATTXCXBJBTARQ-QWRGUYRKSA-N
XLogP1.15
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 71739752) is methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)[C@@H]1CSC(c2cccc(C3=N[C@H](C(=O)OC)CS3)n2)=N1.
What is the InChIKey of methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is IATTXCXBJBTARQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-21-14(19)10-6-23-12(17-10)8-4-3-5-9(16-8)13-18-11(7-24-13)15(20)22-2/h3-5,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 365.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71739752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).