N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide

C11H15N3OS — CID 81410670

IUPACN-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CSCN1)c1ccncc1
InChIInChI=1S/C11H15N3OS/c1-8(9-2-4-12-5-3-9)14-11(15)10-6-16-7-13-10/h2-5,8,10,13H,6-7H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeySZCYCRLTNLUSGR-PEHGTWAWSA-N
MW237.33 g/mol
LogP0.92
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide

N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 81410670) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID81410670
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CSCN1)c1ccncc1
InChIInChI=1S/C11H15N3OS/c1-8(9-2-4-12-5-3-9)14-11(15)10-6-16-7-13-10/h2-5,8,10,13H,6-7H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeySZCYCRLTNLUSGR-PEHGTWAWSA-N
XLogP0.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide (CID 81410670) is N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide is C[C@H](NC(=O)C1CSCN1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is SZCYCRLTNLUSGR-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(9-2-4-12-5-3-9)14-11(15)10-6-16-7-13-10/h2-5,8,10,13H,6-7H2,1H3,(H,14,15)/t8-,10?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide?
N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 81410670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).