N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C19H24N4O2S — CID 119271989

IUPACN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)C3CCCN3)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13(24)20-10-2-4-14-6-8-15(9-7-14)17-12-26-19(22-17)23-18(25)16-5-3-11-21-16/h6-9,12,16,21H,2-5,10-11H2,1H3,(H,20,24)(H,22,23,25)
InChIKeyCOIWKVSTGDDHBC-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.57
Rot. Bonds7

About N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119271989) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID119271989
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)NCCCc1ccc(-c2csc(NC(=O)C3CCCN3)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13(24)20-10-2-4-14-6-8-15(9-7-14)17-12-26-19(22-17)23-18(25)16-5-3-11-21-16/h6-9,12,16,21H,2-5,10-11H2,1H3,(H,20,24)(H,22,23,25)
InChIKeyCOIWKVSTGDDHBC-UHFFFAOYSA-N
XLogP2.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119282683
(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919340
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 119271989) is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is CC(=O)NCCCc1ccc(-c2csc(NC(=O)C3CCCN3)n2)cc1.
What is the InChIKey of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is COIWKVSTGDDHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13(24)20-10-2-4-14-6-8-15(9-7-14)17-12-26-19(22-17)23-18(25)16-5-3-11-21-16/h6-9,12,16,21H,2-5,10-11H2,1H3,(H,20,24)(H,22,23,25).
What are the key properties of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119271989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).