N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C18H23N3O2S — CID 94017091

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-21-8-4-6-16(21)10-19-18(22)14-5-3-7-17(9-14)23-11-15-12-24-13-20-15/h3,5,7,9,12-13,16H,2,4,6,8,10-11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyGELKBCAAZDEALH-INIZCTEOSA-N
MW345.47 g/mol
LogP2.94
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 94017091) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID94017091
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-21-8-4-6-16(21)10-19-18(22)14-5-3-7-17(9-14)23-11-15-12-24-13-20-15/h3,5,7,9,12-13,16H,2,4,6,8,10-11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyGELKBCAAZDEALH-INIZCTEOSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 45250276
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
3-[2-[(1-ethylpyrrolidin-2-yl)methylamino]ethoxy]benzoic acid
CID 103236004
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
acetic acid;4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 154909912
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
CID 126428928
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45224537

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 94017091) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CCN1CCC[C@H]1CNC(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is GELKBCAAZDEALH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-21-8-4-6-16(21)10-19-18(22)14-5-3-7-17(9-14)23-11-15-12-24-13-20-15/h3,5,7,9,12-13,16H,2,4,6,8,10-11H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 345.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 94017091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).