4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C23H25N5O3S2 — CID 41061532

IUPAC4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C23H25N5O3S2/c29-19(13-18-21(31)27-23(33-18)28-11-3-4-12-28)24-15-9-7-14(8-10-15)20(30)26-22-25-16-5-1-2-6-17(16)32-22/h7-10,18H,1-6,11-13H2,(H,24,29)(H,25,26,30)/t18-/m1/s1
InChIKeyVDNHMYPBEXQZMG-GOSISDBHSA-N
MW483.62 g/mol
LogP3.70
Rot. Bonds5

About 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41061532) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID41061532
Molecular FormulaC23H25N5O3S2
Molecular Weight483.62 g/mol
Exact Mass483.14
IUPAC Name4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C23H25N5O3S2/c29-19(13-18-21(31)27-23(33-18)28-11-3-4-12-28)24-15-9-7-14(8-10-15)20(30)26-22-25-16-5-1-2-6-17(16)32-22/h7-10,18H,1-6,11-13H2,(H,24,29)(H,25,26,30)/t18-/m1/s1
InChIKeyVDNHMYPBEXQZMG-GOSISDBHSA-N
XLogP3.70
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-(4-acetyl-1,3-thiazol-2-yl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55520160
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4783348
N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
N-(3-ethynylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55520224
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41060307
N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202160
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9398924

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 41061532) is 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is VDNHMYPBEXQZMG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c29-19(13-18-21(31)27-23(33-18)28-11-3-4-12-28)24-15-9-7-14(8-10-15)20(30)26-22-25-16-5-1-2-6-17(16)32-22/h7-10,18H,1-6,11-13H2,(H,24,29)(H,25,26,30)/t18-/m1/s1.
What are the key properties of 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 483.62 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41061532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).