N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide

C18H23N3O2S — CID 118782906

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-10-15(16(11-21)23-3)20-17(22)13-5-4-6-14(9-13)18-19-7-8-24-18/h4-9,12,15-16H,10-11H2,1-3H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyIJFRETMRXLPOER-HOTGVXAUSA-N
MW345.47 g/mol
LogP2.65
Rot. Bonds5

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide (PubChem CID 118782906) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide
PubChem CID118782906
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-12(2)21-10-15(16(11-21)23-3)20-17(22)13-5-4-6-14(9-13)18-19-7-8-24-18/h4-9,12,15-16H,10-11H2,1-3H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyIJFRETMRXLPOER-HOTGVXAUSA-N
XLogP2.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 91841146
2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 118769446
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
CID 70765038
1-(1,3-benzothiazol-6-yl)-3-(4-methoxy-1-propan-2-ylpyrrolidin-3-yl)urea
CID 156607542
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 118784158
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 133123765
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
CID 133112084
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide (CID 118782906) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IJFRETMRXLPOER-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)21-10-15(16(11-21)23-3)20-17(22)13-5-4-6-14(9-13)18-19-7-8-24-18/h4-9,12,15-16H,10-11H2,1-3H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide has a molecular weight of 345.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118782906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).