N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide

C20H23N3O2S — CID 78857638

IUPACN-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2nc(CC(=O)N3CCCC3C(=O)NC3CC3)cs2)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-2-5-14(10-13)20-22-16(12-26-20)11-18(24)23-9-3-6-17(23)19(25)21-15-7-8-15/h2,4-5,10,12,15,17H,3,6-9,11H2,1H3,(H,21,25)
InChIKeyDRWNOSMTHBRIFR-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.93
Rot. Bonds5

About N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 78857638) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID78857638
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2nc(CC(=O)N3CCCC3C(=O)NC3CC3)cs2)c1
InChIInChI=1S/C20H23N3O2S/c1-13-4-2-5-14(10-13)20-22-16(12-26-20)11-18(24)23-9-3-6-17(23)19(25)21-15-7-8-15/h2,4-5,10,12,15,17H,3,6-9,11H2,1H3,(H,21,25)
InChIKeyDRWNOSMTHBRIFR-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
N-{(1s)-1-Cyclohexyl-2-[(2s)-2-(4-Naphthalen-1-Yl-1,3-Thiazol-2-Yl)pyrrolidin-1-Yl]-2-Oxoethyl}-N~2~-Methyl-L-Alaninamide
CID 44820626
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2464991
N-allyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 2768692
N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-3,3-dimethylbutanamide
CID 7518402
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 7518520
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)pivalamide
CID 7522128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide (CID 78857638) is N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide is Cc1cccc(-c2nc(CC(=O)N3CCCC3C(=O)NC3CC3)cs2)c1.
What is the InChIKey of N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DRWNOSMTHBRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-4-2-5-14(10-13)20-22-16(12-26-20)11-18(24)23-9-3-6-17(23)19(25)21-15-7-8-15/h2,4-5,10,12,15,17H,3,6-9,11H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).