2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide

C17H21N3OS — CID 56813193

IUPAC2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H21N3OS/c18-16(21)11-20(15-8-4-5-9-15)10-14-12-22-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H2,18,21)
InChIKeyUYXZDVLFVCZYTR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.04
Rot. Bonds6

About 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide

2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 56813193) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID56813193
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H21N3OS/c18-16(21)11-20(15-8-4-5-9-15)10-14-12-22-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H2,18,21)
InChIKeyUYXZDVLFVCZYTR-UHFFFAOYSA-N
XLogP3.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 60834515
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
4-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 56813193) is 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide is NC(=O)CN(Cc1csc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is UYXZDVLFVCZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-16(21)11-20(15-8-4-5-9-15)10-14-12-22-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H2,18,21).
What are the key properties of 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 56813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).