N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

C23H26ClN5O4S — CID 118468724

IUPACN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnccn2)sc1C(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1
InChIInChI=1S/C23H26ClN5O4S/c1-12-20(34-22(27-12)15-9-25-7-8-26-15)21(31)28-17(13-5-3-2-4-6-13)23(32)29-10-14(24)19-18(29)16(30)11-33-19/h7-9,13-14,17-19H,2-6,10-11H2,1H3,(H,28,31)/t14-,17-,18+,19+/m0/s1
InChIKeyGXJMTVXMVCKZOI-WQANXHIZSA-N
MW504.01 g/mol
LogP2.37
Rot. Bonds5

About N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 118468724) has the molecular formula C23H26ClN5O4S and a molecular weight of 504.01 g/mol. Its IUPAC name is N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID118468724
Molecular FormulaC23H26ClN5O4S
Molecular Weight504.01 g/mol
Exact Mass503.14
IUPAC NameN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnccn2)sc1C(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1
InChIInChI=1S/C23H26ClN5O4S/c1-12-20(34-22(27-12)15-9-25-7-8-26-15)21(31)28-17(13-5-3-2-4-6-13)23(32)29-10-14(24)19-18(29)16(30)11-33-19/h7-9,13-14,17-19H,2-6,10-11H2,1H3,(H,28,31)/t14-,17-,18+,19+/m0/s1
InChIKeyGXJMTVXMVCKZOI-WQANXHIZSA-N
XLogP2.37
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (CID 118468724) is N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cnccn2)sc1C(=O)N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1.
What is the InChIKey of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GXJMTVXMVCKZOI-WQANXHIZSA-N. The full InChI is InChI=1S/C23H26ClN5O4S/c1-12-20(34-22(27-12)15-9-25-7-8-26-15)21(31)28-17(13-5-3-2-4-6-13)23(32)29-10-14(24)19-18(29)16(30)11-33-19/h7-9,13-14,17-19H,2-6,10-11H2,1H3,(H,28,31)/t14-,17-,18+,19+/m0/s1.
What are the key properties of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 504.01 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118468724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).