2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

C11H17N3O2S — CID 113357249

IUPAC2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c12-4-7-2-1-3-9(7)10(15)13-5-8-6-17-11(16)14-8/h6-7,9H,1-5,12H2,(H,13,15)(H,14,16)
InChIKeyYNJBHZKRRIFSOP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.43
Rot. Bonds4

About 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 113357249) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID113357249
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c12-4-7-2-1-3-9(7)10(15)13-5-8-6-17-11(16)14-8/h6-7,9H,1-5,12H2,(H,13,15)(H,14,16)
InChIKeyYNJBHZKRRIFSOP-UHFFFAOYSA-N
XLogP0.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 114181445
cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106379549
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
3-amino-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-sulfanylidenepropanamide
CID 106381454
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381468
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 113357249) is 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is YNJBHZKRRIFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-4-7-2-1-3-9(7)10(15)13-5-8-6-17-11(16)14-8/h6-7,9H,1-5,12H2,(H,13,15)(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).