N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide

C19H21N3O2S — CID 166413666

IUPACN-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-18(23)21(3)15-9-7-14(8-10-15)19(24)22-11-5-6-17(22)16-12-25-13(2)20-16/h4,7-10,12,17H,1,5-6,11H2,2-3H3/t17-/m1/s1
InChIKeySFEUBASZYIDTKY-QGZVFWFLSA-N
MW355.46 g/mol
LogP3.58
Rot. Bonds4

About N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide

N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166413666) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166413666
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-18(23)21(3)15-9-7-14(8-10-15)19(24)22-11-5-6-17(22)16-12-25-13(2)20-16/h4,7-10,12,17H,1,5-6,11H2,2-3H3/t17-/m1/s1
InChIKeySFEUBASZYIDTKY-QGZVFWFLSA-N
XLogP3.58
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 121451676
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 124873595
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
[2-(4-methylphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 55552263
N-[4-[3-(difluoromethoxy)piperidine-1-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166413995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide (CID 166413666) is N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1.
What is the InChIKey of N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is SFEUBASZYIDTKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-18(23)21(3)15-9-7-14(8-10-15)19(24)22-11-5-6-17(22)16-12-25-13(2)20-16/h4,7-10,12,17H,1,5-6,11H2,2-3H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 355.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166413666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).