N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C19H25N3O2S — CID 119566811

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3(CN)CCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14-4-6-16(7-5-14)24-11-18-21-15(12-25-18)10-17(23)22-19(13-20)8-2-3-9-19/h4-7,12H,2-3,8-11,13,20H2,1H3,(H,22,23)
InChIKeyBPDNKQBLRZUJQJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.96
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 119566811) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID119566811
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3(CN)CCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14-4-6-16(7-5-14)24-11-18-21-15(12-25-18)10-17(23)22-19(13-20)8-2-3-9-19/h4-7,12H,2-3,8-11,13,20H2,1H3,(H,22,23)
InChIKeyBPDNKQBLRZUJQJ-UHFFFAOYSA-N
XLogP2.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119603119
1-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
CID 78881305
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55457546
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-[1-(aminomethyl)cyclopentyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119567872
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
ethyl 4,5-dimethyl-2-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]thiophene-3-carboxylate
CID 16572452

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 119566811) is N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NC3(CN)CCCC3)cs2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is BPDNKQBLRZUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-4-6-16(7-5-14)24-11-18-21-15(12-25-18)10-17(23)22-19(13-20)8-2-3-9-19/h4-7,12H,2-3,8-11,13,20H2,1H3,(H,22,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119566811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).