2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide

C19H27N5OS — CID 154801021

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide
SMILESCCc1nc(CC(=O)NC2CCCC2CNCc2cnc(C)nc2)cs1
InChIInChI=1S/C19H27N5OS/c1-3-19-23-16(12-26-19)7-18(25)24-17-6-4-5-15(17)11-20-8-14-9-21-13(2)22-10-14/h9-10,12,15,17,20H,3-8,11H2,1-2H3,(H,24,25)
InChIKeyDFPRSSNLPKHQRR-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide (PubChem CID 154801021) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide
PubChem CID154801021
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide
SMILESCCc1nc(CC(=O)NC2CCCC2CNCc2cnc(C)nc2)cs1
InChIInChI=1S/C19H27N5OS/c1-3-19-23-16(12-26-19)7-18(25)24-17-6-4-5-15(17)11-20-8-14-9-21-13(2)22-10-14/h9-10,12,15,17,20H,3-8,11H2,1-2H3,(H,24,25)
InChIKeyDFPRSSNLPKHQRR-UHFFFAOYSA-N
XLogP2.42
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119603119
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042984
2-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 55031515
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451077
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 38706195
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106361462
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
methyl (1S,2R,3R,4S)-3-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124728408
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide (CID 154801021) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide is CCc1nc(CC(=O)NC2CCCC2CNCc2cnc(C)nc2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide?
The InChIKey is DFPRSSNLPKHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-3-19-23-16(12-26-19)7-18(25)24-17-6-4-5-15(17)11-20-8-14-9-21-13(2)22-10-14/h9-10,12,15,17,20H,3-8,11H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide has a molecular weight of 373.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[2-[[(2-methylpyrimidin-5-yl)methylamino]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 154801021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).