3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

C18H23N3O2S — CID 129337972

IUPAC3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2scnc2C)C[C@@H]2CCNC2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-17(24-12-20-13)11-21(10-14-6-7-19-9-14)18(22)15-4-3-5-16(8-15)23-2/h3-5,8,12,14,19H,6-7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyMJNFOYGCEXYAHW-CQSZACIVSA-N
MW345.47 g/mol
LogP2.71
Rot. Bonds6

About 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 129337972) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID129337972
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2scnc2C)C[C@@H]2CCNC2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-17(24-12-20-13)11-21(10-14-6-7-19-9-14)18(22)15-4-3-5-16(8-15)23-2/h3-5,8,12,14,19H,6-7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyMJNFOYGCEXYAHW-CQSZACIVSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
CID 128993498
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129335678
6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129344134
1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129342980
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342747
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342748
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129344186
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129336128
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (CID 129337972) is 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is COc1cccc(C(=O)N(Cc2scnc2C)C[C@@H]2CCNC2)c1.
What is the InChIKey of 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MJNFOYGCEXYAHW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-17(24-12-20-13)11-21(10-14-6-7-19-9-14)18(22)15-4-3-5-16(8-15)23-2/h3-5,8,12,14,19H,6-7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 129337972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).