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

C23H27N5O4S — CID 144949629

IUPACN-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1ncc(-c2cnc(C(=O)NC(C(=O)N3CC[C@H]4OCC(=O)[C@H]43)C3CCCCC3)s2)cn1
InChIInChI=1S/C23H27N5O4S/c1-13-24-9-15(10-25-13)18-11-26-22(33-18)21(30)27-19(14-5-3-2-4-6-14)23(31)28-8-7-17-20(28)16(29)12-32-17/h9-11,14,17,19-20H,2-8,12H2,1H3,(H,27,30)/t17-,19?,20-/m1/s1
InChIKeyUGWHBIDWKWRQOO-WWJDGXJASA-N
MW469.57 g/mol
LogP2.16
Rot. Bonds5

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

N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 144949629) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID144949629
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1ncc(-c2cnc(C(=O)NC(C(=O)N3CC[C@H]4OCC(=O)[C@H]43)C3CCCCC3)s2)cn1
InChIInChI=1S/C23H27N5O4S/c1-13-24-9-15(10-25-13)18-11-26-22(33-18)21(30)27-19(14-5-3-2-4-6-14)23(31)28-8-7-17-20(28)16(29)12-32-17/h9-11,14,17,19-20H,2-8,12H2,1H3,(H,27,30)/t17-,19?,20-/m1/s1
InChIKeyUGWHBIDWKWRQOO-WWJDGXJASA-N
XLogP2.16
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
CID 144949526
N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 123345776
N-[(1S)-2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 68750847
N-[(1S)-1-cyclohexyl-2-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 68780493
N-[(1S)-2-[(3aR,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 68778738
N-[(1S)-2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 163471754
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]-5-(2-cyclopropyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 118468680
N-[(1S)-2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 58101942
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-cyclopropyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 118471708
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2,4-dimethylpyrimidin-5-yl)thiophene-2-carboxamide
CID 130316772
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(3-fluoro-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 130316774
N-[(1S)-2-[(3R,3aS,6aS)-3-chloro-6-oxo-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-5-phenyl-1,3-thiazole-2-carboxamide
CID 118477497

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide (CID 144949629) is N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide is Cc1ncc(-c2cnc(C(=O)NC(C(=O)N3CC[C@H]4OCC(=O)[C@H]43)C3CCCCC3)s2)cn1.
What is the InChIKey of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is UGWHBIDWKWRQOO-WWJDGXJASA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-13-24-9-15(10-25-13)18-11-26-22(33-18)21(30)27-19(14-5-3-2-4-6-14)23(31)28-8-7-17-20(28)16(29)12-32-17/h9-11,14,17,19-20H,2-8,12H2,1H3,(H,27,30)/t17-,19?,20-/m1/s1.
What are the key properties of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?
N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 144949629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).