N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C17H18ClN3O2S — CID 86904057

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C17H18ClN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)19-13-6-5-12(18)9-14(13)20-7-3-4-8-20/h3-9,15H,2,10-11H2,1H3,(H,19,23)
InChIKeyBIMVWMJZTNGHTR-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.38
Rot. Bonds4

About N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 86904057) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID86904057
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C17H18ClN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)19-13-6-5-12(18)9-14(13)20-7-3-4-8-20/h3-9,15H,2,10-11H2,1H3,(H,19,23)
InChIKeyBIMVWMJZTNGHTR-UHFFFAOYSA-N
XLogP3.38
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95292279
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 124505916
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474822
2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120543427
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222924
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 86904057) is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSCC1C(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is BIMVWMJZTNGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)19-13-6-5-12(18)9-14(13)20-7-3-4-8-20/h3-9,15H,2,10-11H2,1H3,(H,19,23).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 86904057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).