N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C13H15N3O4S — CID 155912059

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C13H15N3O4S/c1-6-9(16-2-3-21-13(16)14-6)12(18)15-7-4-19-11-8(17)5-20-10(7)11/h2-3,7-8,10-11,17H,4-5H2,1H3,(H,15,18)/t7-,8+,10+,11+/m0/s1
InChIKeyKZVODUOXVBBRAV-SCVMZPAESA-N
MW309.35 g/mol
LogP-0.04
Rot. Bonds2

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 155912059) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID155912059
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C13H15N3O4S/c1-6-9(16-2-3-21-13(16)14-6)12(18)15-7-4-19-11-8(17)5-20-10(7)11/h2-3,7-8,10-11,17H,4-5H2,1H3,(H,15,18)/t7-,8+,10+,11+/m0/s1
InChIKeyKZVODUOXVBBRAV-SCVMZPAESA-N
XLogP-0.04
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 155915781
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CID 155912039
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CID 95147847
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 155912059) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KZVODUOXVBBRAV-SCVMZPAESA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-6-9(16-2-3-21-13(16)14-6)12(18)15-7-4-19-11-8(17)5-20-10(7)11/h2-3,7-8,10-11,17H,4-5H2,1H3,(H,15,18)/t7-,8+,10+,11+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 155912059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).