N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide

C16H19N5O2S — CID 134689487

IUPACN-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(N2C[C@@H](NC(=O)c3cscn3)[C@@H]3COC[C@@H]32)nc1
InChIInChI=1S/C16H19N5O2S/c1-2-10-3-17-16(18-4-10)21-5-12(11-6-23-7-14(11)21)20-15(22)13-8-24-9-19-13/h3-4,8-9,11-12,14H,2,5-7H2,1H3,(H,20,22)/t11-,12+,14-/m0/s1
InChIKeyPXVWDKJBBJEZQA-SCRDCRAPSA-N
MW345.43 g/mol
LogP1.13
Rot. Bonds4

About N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide

N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 134689487) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID134689487
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(N2C[C@@H](NC(=O)c3cscn3)[C@@H]3COC[C@@H]32)nc1
InChIInChI=1S/C16H19N5O2S/c1-2-10-3-17-16(18-4-10)21-5-12(11-6-23-7-14(11)21)20-15(22)13-8-24-9-19-13/h3-4,8-9,11-12,14H,2,5-7H2,1H3,(H,20,22)/t11-,12+,14-/m0/s1
InChIKeyPXVWDKJBBJEZQA-SCRDCRAPSA-N
XLogP1.13
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6aS)-1-(5-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
CID 97386645
N-[(3S,3aR,6aS)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155826951
N-[(3S,3aR,6aS)-1-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155832806
N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103713530
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133407
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
[8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97449455
N-[(3R,4R)-4-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133380
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257
N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133384
N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-4-carboxamide
CID 92558151

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide (CID 134689487) is N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide is CCc1cnc(N2C[C@@H](NC(=O)c3cscn3)[C@@H]3COC[C@@H]32)nc1.
What is the InChIKey of N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PXVWDKJBBJEZQA-SCRDCRAPSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-10-3-17-16(18-4-10)21-5-12(11-6-23-7-14(11)21)20-15(22)13-8-24-9-19-13/h3-4,8-9,11-12,14H,2,5-7H2,1H3,(H,20,22)/t11-,12+,14-/m0/s1.
What are the key properties of N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aS,6aR)-1-(5-ethylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134689487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).