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

C19H24N4O2S — CID 166594190

IUPAC(2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-22(2)17(24)9-12-23(19(25)16-4-3-10-20-16)15-7-5-14(6-8-15)18-21-11-13-26-18/h5-8,11,13,16,20H,3-4,9-10,12H2,1-2H3/t16-/m0/s1
InChIKeyCPEMPXXBGJVKMV-INIZCTEOSA-N
MW372.49 g/mol
LogP2.37
Rot. Bonds6

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

(2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 166594190) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID166594190
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-22(2)17(24)9-12-23(19(25)16-4-3-10-20-16)15-7-5-14(6-8-15)18-21-11-13-26-18/h5-8,11,13,16,20H,3-4,9-10,12H2,1-2H3/t16-/m0/s1
InChIKeyCPEMPXXBGJVKMV-INIZCTEOSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(1,3-thiazol-2-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895812
ALP-POS-02c6a514-49
CID 156906925
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 118174156
N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202604
(S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-yl)-1-((R)-2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 10874168
2-(4-Benzyl-2-oxo-piperazin-1-yl)-N-[(R)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376056
2-(4-benzyl-2-oxopiperazin-1-yl)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide
CID 44453410
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 72945361
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 118727639
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 162651491
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 166594190) is (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1)c1ccc(-c2nccs2)cc1.
What is the InChIKey of (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CPEMPXXBGJVKMV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-22(2)17(24)9-12-23(19(25)16-4-3-10-20-16)15-7-5-14(6-8-15)18-21-11-13-26-18/h5-8,11,13,16,20H,3-4,9-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylamino)-3-oxopropyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166594190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).