N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C13H18ClN3OS — CID 154910811

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc2c(s1)CCC2)C1C=CCN1
InChIInChI=1S/C13H17N3OS.ClH/c17-13(10-4-2-7-14-10)15-8-6-12-16-9-3-1-5-11(9)18-12;/h2,4,10,14H,1,3,5-8H2,(H,15,17);1H
InChIKeyACOYXRIHSZEOQE-UHFFFAOYSA-N
MW299.83 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154910811) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154910811
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc2c(s1)CCC2)C1C=CCN1
InChIInChI=1S/C13H17N3OS.ClH/c17-13(10-4-2-7-14-10)15-8-6-12-16-9-3-1-5-11(9)18-12;/h2,4,10,14H,1,3,5-8H2,(H,15,17);1H
InChIKeyACOYXRIHSZEOQE-UHFFFAOYSA-N
XLogP1.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1H-imidazole-2-carboxamide
CID 110466591
(4aR,6S,8aR)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;dihydrochloride
CID 163334405
(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide
CID 155508548
cis-(1R,3S)-3-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 133118561
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316773
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910288
9-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988447
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154910811) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NCCc1nc2c(s1)CCC2)C1C=CCN1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is ACOYXRIHSZEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.ClH/c17-13(10-4-2-7-14-10)15-8-6-12-16-9-3-1-5-11(9)18-12;/h2,4,10,14H,1,3,5-8H2,(H,15,17);1H.
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 299.83 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154910811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).