N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide

C14H15N3OS — CID 43713195

IUPACN-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)C1CSCN1
InChIInChI=1S/C14H15N3OS/c18-14(13-9-19-10-15-13)16-11-4-3-5-12(8-11)17-6-1-2-7-17/h1-8,13,15H,9-10H2,(H,16,18)
InChIKeyXARGIAFLCKHOLQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.08
Rot. Bonds3

About N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide

N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43713195) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43713195
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)C1CSCN1
InChIInChI=1S/C14H15N3OS/c18-14(13-9-19-10-15-13)16-11-4-3-5-12(8-11)17-6-1-2-7-17/h1-8,13,15H,9-10H2,(H,16,18)
InChIKeyXARGIAFLCKHOLQ-UHFFFAOYSA-N
XLogP2.08
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(1,2,4-triazol-4-yl)phenyl]thiomorpholine-3-carboxamide
CID 82905705
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-[3-(1H-imidazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 110668512

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide (CID 43713195) is N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)C1CSCN1.
What is the InChIKey of N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XARGIAFLCKHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(13-9-19-10-15-13)16-11-4-3-5-12(8-11)17-6-1-2-7-17/h1-8,13,15H,9-10H2,(H,16,18).
What are the key properties of N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43713195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).