(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C18H18ClN3O3S — CID 122619730

IUPAC(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C18H18ClN3O3S/c19-17-20-9-14(26-17)10-22-6-5-18(16(22)24)4-3-11-1-2-12(15(23)21-25)7-13(11)8-18/h1-2,7,9,25H,3-6,8,10H2,(H,21,23)/t18-/m1/s1
InChIKeyVNNVUFDFOFZVRU-GOSISDBHSA-N
MW391.88 g/mol
LogP2.82
Rot. Bonds3

About (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122619730) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122619730
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C18H18ClN3O3S/c19-17-20-9-14(26-17)10-22-6-5-18(16(22)24)4-3-11-1-2-12(15(23)21-25)7-13(11)8-18/h1-2,7,9,25H,3-6,8,10H2,(H,21,23)/t18-/m1/s1
InChIKeyVNNVUFDFOFZVRU-GOSISDBHSA-N
XLogP2.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((3-Carbamoylphenyl)(1-(thiazol-5-ylmethyl)piperidin-4-ylidene)methyl)-N,N-dimethylbenzamide
CID 121430051
2-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione
CID 1481661
N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 166627092
5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 164641582
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzamide
CID 134217811
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]benzamide
CID 134225601
1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane
CID 163440450
6-(2,4-Difluorophenyl)-4-(1,3-thiazol-5-yl)-2,3-dihydroisoindol-1-one
CID 172298703
1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide
CID 158365634
7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide
CID 160819113
1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide
CID 160910861
6-N-hydroxy-2-N-methyl-2-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]naphthalene-2,6-dicarboxamide
CID 25256698

Frequently Asked Questions

What is the IUPAC name of (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122619730) is (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is O=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CCN(Cc2cnc(Cl)s2)C1=O.
What is the InChIKey of (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is VNNVUFDFOFZVRU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c19-17-20-9-14(26-17)10-22-6-5-18(16(22)24)4-3-11-1-2-12(15(23)21-25)7-13(11)8-18/h1-2,7,9,25H,3-6,8,10H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122619730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).