(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C26H34N4O3S — CID 143879768

IUPAC(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC=C[C@@H]1CC1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Nc1nc(-c2ccc(OC)cc2)cs1)C(C)(C)C
InChIInChI=1S/C26H34N4O3S/c1-6-16-14-19(16)27-23(31)21-8-7-13-30(21)24(32)22(26(2,3)4)29-25-28-20(15-34-25)17-9-11-18(33-5)12-10-17/h6,9-12,15-16,19,21-22H,1,7-8,13-14H2,2-5H3,(H,27,31)(H,28,29)/t16-,19?,21+,22-/m1/s1
InChIKeyCKWUCQRABZLYGY-TYEBYXRGSA-N
MW482.65 g/mol
LogP4.33
Rot. Bonds8

About (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 143879768) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID143879768
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC=C[C@@H]1CC1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Nc1nc(-c2ccc(OC)cc2)cs1)C(C)(C)C
InChIInChI=1S/C26H34N4O3S/c1-6-16-14-19(16)27-23(31)21-8-7-13-30(21)24(32)22(26(2,3)4)29-25-28-20(15-34-25)17-9-11-18(33-5)12-10-17/h6,9-12,15-16,19,21-22H,1,7-8,13-14H2,2-5H3,(H,27,31)(H,28,29)/t16-,19?,21+,22-/m1/s1
InChIKeyCKWUCQRABZLYGY-TYEBYXRGSA-N
XLogP4.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-1-[(2S)-3,3-dimethyl-2-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 143879803
(2S)-N-cyclopropyl-1-[(2S)-3,3-dimethyl-2-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 143879813
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
CID 163942353
acetylene;7-chloro-4-methoxy-2H-isoquinolin-1-one;(2S)-N-cyclopropyl-1-[(2S)-3,3-dimethyl-2-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]butanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfonylformamide;ethene
CID 143879802
(3S)-3-[[1-[(2S)-2-[(4-methoxybenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 59043828
trans-(1S,2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1226249
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
1,6-dimethoxyisoquinoline;methane;methylcyclopropane;molecular hydrogen;oxaldehyde;propan-2-yl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;trans-(1S,2S)-2-ethenylcyclopropane-1-carboxamide
CID 142833686
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238
(4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane
CID 143314644
tert-butyl 2-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 122262593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 143879768) is (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is C=C[C@@H]1CC1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Nc1nc(-c2ccc(OC)cc2)cs1)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is CKWUCQRABZLYGY-TYEBYXRGSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-6-16-14-19(16)27-23(31)21-8-7-13-30(21)24(32)22(26(2,3)4)29-25-28-20(15-34-25)17-9-11-18(33-5)12-10-17/h6,9-12,15-16,19,21-22H,1,7-8,13-14H2,2-5H3,(H,27,31)(H,28,29)/t16-,19?,21+,22-/m1/s1.
What are the key properties of (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143879768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).