N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide

C20H26N4O2S — CID 86818587

IUPACN-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCNC(=O)C1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H26N4O2S/c1-2-21-19(26)20(10-6-7-11-20)23-12-16-14-27-17(24-16)13-22-18(25)15-8-4-3-5-9-15/h3-5,8-9,14,23H,2,6-7,10-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyNCSHWNJAWOFALM-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.61
Rot. Bonds8

About N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide

N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 86818587) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID86818587
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCCNC(=O)C1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H26N4O2S/c1-2-21-19(26)20(10-6-7-11-20)23-12-16-14-27-17(24-16)13-22-18(25)15-8-4-3-5-9-15/h3-5,8-9,14,23H,2,6-7,10-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyNCSHWNJAWOFALM-UHFFFAOYSA-N
XLogP2.61
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
CID 71849580
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912
N-[[4-[[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 139008815
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 86818587) is N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide is CCNC(=O)C1(NCc2csc(CNC(=O)c3ccccc3)n2)CCCC1.
What is the InChIKey of N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is NCSHWNJAWOFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-21-19(26)20(10-6-7-11-20)23-12-16-14-27-17(24-16)13-22-18(25)15-8-4-3-5-9-15/h3-5,8-9,14,23H,2,6-7,10-13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 86818587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).