2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide

C16H27N3OS — CID 120630586

IUPAC2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CCC1CCCC1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C16H27N3OS/c1-11(2)6-7-12-4-3-5-13(12)19-16(20)14-10-21-15(18-14)8-9-17/h10-13H,3-9,17H2,1-2H3,(H,19,20)
InChIKeyXMYFTRGRWBSZTG-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.98
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide (PubChem CID 120630586) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
PubChem CID120630586
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CCC1CCCC1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C16H27N3OS/c1-11(2)6-7-12-4-3-5-13(12)19-16(20)14-10-21-15(18-14)8-9-17/h10-13H,3-9,17H2,1-2H3,(H,19,20)
InChIKeyXMYFTRGRWBSZTG-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 114094153
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
2-(2-aminoethyl)-N-(1-cyclobutylpentyl)-1,3-thiazole-4-carboxamide
CID 120633626

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide (CID 120630586) is 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide is CC(C)CCC1CCCC1NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XMYFTRGRWBSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(2)6-7-12-4-3-5-13(12)19-16(20)14-10-21-15(18-14)8-9-17/h10-13H,3-9,17H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120630586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).