1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide

C19H24N4O2S — CID 164705218

IUPAC1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C[C@H](c1ccc(-c2scnc2C)cc1)N1CCCC1C(N)=O
InChIInChI=1S/C19H24N4O2S/c1-12-18(26-11-22-12)14-7-5-13(6-8-14)16(10-17(24)21-2)23-9-3-4-15(23)19(20)25/h5-8,11,15-16H,3-4,9-10H2,1-2H3,(H2,20,25)(H,21,24)/t15?,16-/m1/s1
InChIKeyQJDUWGWRRDCKSZ-OEMAIJDKSA-N
MW372.49 g/mol
LogP2.25
Rot. Bonds6

About 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide

1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 164705218) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID164705218
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C[C@H](c1ccc(-c2scnc2C)cc1)N1CCCC1C(N)=O
InChIInChI=1S/C19H24N4O2S/c1-12-18(26-11-22-12)14-7-5-13(6-8-14)16(10-17(24)21-2)23-9-3-4-15(23)19(20)25/h5-8,11,15-16H,3-4,9-10H2,1-2H3,(H2,20,25)(H,21,24)/t15?,16-/m1/s1
InChIKeyQJDUWGWRRDCKSZ-OEMAIJDKSA-N
XLogP2.25
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 164897606
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
1-[(Z)-3-hydroxy-5-(methylamino)-2-propan-2-ylhex-3-enoyl]-N-[3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 154690060
1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 175959995
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535598
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
(2S)-1-(3,3-dimethylbutanoyl)-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535505
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 142390530
1-(2-aminoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 177181720
ethane;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N,2,2-trimethylpropan-1-amine
CID 142464684
(2S)-2-amino-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 157297672

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide (CID 164705218) is 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide is CNC(=O)C[C@H](c1ccc(-c2scnc2C)cc1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is QJDUWGWRRDCKSZ-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-18(26-11-22-12)14-7-5-13(6-8-14)16(10-17(24)21-2)23-9-3-4-15(23)19(20)25/h5-8,11,15-16H,3-4,9-10H2,1-2H3,(H2,20,25)(H,21,24)/t15?,16-/m1/s1.
What are the key properties of 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide?
1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).