1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

C13H19N3O3S — CID 115433669

IUPAC1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)NCC2(C(=O)O)CCCC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(14)11-16-9(6-20-11)10(17)15-7-13(12(18)19)4-2-3-5-13/h6,8H,2-5,7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyRHDWJYONVJNTKU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.54
Rot. Bonds5

About 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433669) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433669
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)NCC2(C(=O)O)CCCC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-8(14)11-16-9(6-20-11)10(17)15-7-13(12(18)19)4-2-3-5-13/h6,8H,2-5,7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyRHDWJYONVJNTKU-UHFFFAOYSA-N
XLogP1.54
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 107163944
1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161359
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
2-(1-aminoethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 66388553

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115433669) is 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is CC(N)c1nc(C(=O)NCC2(C(=O)O)CCCC2)cs1.
What is the InChIKey of 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RHDWJYONVJNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(14)11-16-9(6-20-11)10(17)15-7-13(12(18)19)4-2-3-5-13/h6,8H,2-5,7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).