N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H25N3O2S — CID 119565019

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NC3(CN)CCCC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-24-15-8-6-14(7-9-15)18-21-13(2)16(25-18)17(23)22-19(12-20)10-4-5-11-19/h6-9H,3-5,10-12,20H2,1-2H3,(H,22,23)
InChIKeyGPRWSMIJDZHGBA-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119565019) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119565019
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NC3(CN)CCCC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-24-15-8-6-14(7-9-15)18-21-13(2)16(25-18)17(23)22-19(12-20)10-4-5-11-19/h6-9H,3-5,10-12,20H2,1-2H3,(H,22,23)
InChIKeyGPRWSMIJDZHGBA-UHFFFAOYSA-N
XLogP3.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222
2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120574492

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 119565019) is N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)NC3(CN)CCCC3)s2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPRWSMIJDZHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-24-15-8-6-14(7-9-15)18-21-13(2)16(25-18)17(23)22-19(12-20)10-4-5-11-19/h6-9H,3-5,10-12,20H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.52, 6 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-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119565019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).