2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

C19H25N3O2S — CID 35844295

IUPAC2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1
InChIInChI=1S/C19H25N3O2S/c1-3-24-17-9-5-4-8-16(17)18(23)21-19-20-15(13-25-19)12-22-10-6-7-14(2)11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyZYDZAVAGJKKDHN-CQSZACIVSA-N
MW359.50 g/mol
LogP4.03
Rot. Bonds6

About 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 35844295) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID35844295
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1
InChIInChI=1S/C19H25N3O2S/c1-3-24-17-9-5-4-8-16(17)18(23)21-19-20-15(13-25-19)12-22-10-6-7-14(2)11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyZYDZAVAGJKKDHN-CQSZACIVSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
1-(2-ethoxybenzoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55622753
N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30823052
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 74646134
(2R)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 100841717
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (CID 35844295) is 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is CCOc1ccccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1.
What is the InChIKey of 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZYDZAVAGJKKDHN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-24-17-9-5-4-8-16(17)18(23)21-19-20-15(13-25-19)12-22-10-6-7-14(2)11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 359.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 35844295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).