3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C20H26N4O2S — CID 166227366

IUPAC3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)NCc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1
InChIInChI=1S/C20H26N4O2S/c1-15(25)21-12-16-7-6-8-17(11-16)19(26)23-20-22-18(14-27-20)13-24-9-4-2-3-5-10-24/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyDYPZEJCKJGQUNI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.41
Rot. Bonds6

About 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 166227366) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID166227366
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)NCc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1
InChIInChI=1S/C20H26N4O2S/c1-15(25)21-12-16-7-6-8-17(11-16)19(26)23-20-22-18(14-27-20)13-24-9-4-2-3-5-10-24/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyDYPZEJCKJGQUNI-UHFFFAOYSA-N
XLogP3.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646
3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182568
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 166227366) is 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is CC(=O)NCc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1.
What is the InChIKey of 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DYPZEJCKJGQUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15(25)21-12-16-7-6-8-17(11-16)19(26)23-20-22-18(14-27-20)13-24-9-4-2-3-5-10-24/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 166227366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).