N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide

C17H29N3O2S — CID 99784840

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCCC[C@@H](CCOC)C2)sc1C
InChIInChI=1S/C17H29N3O2S/c1-4-15-13(2)23-17(18-15)19-16(21)12-20-9-6-5-7-14(11-20)8-10-22-3/h14H,4-12H2,1-3H3,(H,18,19,21)/t14-/m0/s1
InChIKeyCESZGJAXUJWYGC-AWEZNQCLSA-N
MW339.51 g/mol
LogP3.09
Rot. Bonds7

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide (PubChem CID 99784840) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide
PubChem CID99784840
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCCC[C@@H](CCOC)C2)sc1C
InChIInChI=1S/C17H29N3O2S/c1-4-15-13(2)23-17(18-15)19-16(21)12-20-9-6-5-7-14(11-20)8-10-22-3/h14H,4-12H2,1-3H3,(H,18,19,21)/t14-/m0/s1
InChIKeyCESZGJAXUJWYGC-AWEZNQCLSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide (CID 99784840) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide is CCc1nc(NC(=O)CN2CCCC[C@@H](CCOC)C2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide?
The InChIKey is CESZGJAXUJWYGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-4-15-13(2)23-17(18-15)19-16(21)12-20-9-6-5-7-14(11-20)8-10-22-3/h14H,4-12H2,1-3H3,(H,18,19,21)/t14-/m0/s1.
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide has a molecular weight of 339.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3S)-3-(2-methoxyethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 99784840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).