N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide

C16H20N4O3S — CID 124801225

IUPACN-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CN2C[C@H]3[C@H](CNC(=O)c4cscn4)CO[C@H]3C2)no1
InChIInChI=1S/C16H20N4O3S/c1-10-2-12(19-23-10)4-20-5-13-11(7-22-15(13)6-20)3-17-16(21)14-8-24-9-18-14/h2,8-9,11,13,15H,3-7H2,1H3,(H,17,21)/t11-,13+,15+/m1/s1
InChIKeyXDIPLWFXKSCCBP-ZLDLUXBVSA-N
MW348.43 g/mol
LogP1.32
Rot. Bonds5

About N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 124801225) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID124801225
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CN2C[C@H]3[C@H](CNC(=O)c4cscn4)CO[C@H]3C2)no1
InChIInChI=1S/C16H20N4O3S/c1-10-2-12(19-23-10)4-20-5-13-11(7-22-15(13)6-20)3-17-16(21)14-8-24-9-18-14/h2,8-9,11,13,15H,3-7H2,1H3,(H,17,21)/t11-,13+,15+/m1/s1
InChIKeyXDIPLWFXKSCCBP-ZLDLUXBVSA-N
XLogP1.32
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 124796669
N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155839923
N-[[(3S,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
CID 124798009
N-[[(3R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155830821
N-[[(3R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842684
N-[[(3R,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853274
N-[[(3R,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124806474
N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97459865
N-[[(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125245186
N-[[(3S,3aR,7aR)-5-acetyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155874525
N-[[(3R,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780287
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 124801225) is N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1cc(CN2C[C@H]3[C@H](CNC(=O)c4cscn4)CO[C@H]3C2)no1.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XDIPLWFXKSCCBP-ZLDLUXBVSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-2-12(19-23-10)4-20-5-13-11(7-22-15(13)6-20)3-17-16(21)14-8-24-9-18-14/h2,8-9,11,13,15H,3-7H2,1H3,(H,17,21)/t11-,13+,15+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124801225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).