methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H21N3O4S — CID 95144508

IUPACmethyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CN2CC[C@](O)(c3ccccc3)C2)nc1C
InChIInChI=1S/C18H21N3O4S/c1-12-15(16(23)25-2)26-17(19-12)20-14(22)10-21-9-8-18(24,11-21)13-6-4-3-5-7-13/h3-7,24H,8-11H2,1-2H3,(H,19,20,22)/t18-/m1/s1
InChIKeyBNFCOJVDWCODCW-GOSISDBHSA-N
MW375.45 g/mol
LogP1.77
Rot. Bonds5

About methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 95144508) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID95144508
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Namemethyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CN2CC[C@](O)(c3ccccc3)C2)nc1C
InChIInChI=1S/C18H21N3O4S/c1-12-15(16(23)25-2)26-17(19-12)20-14(22)10-21-9-8-18(24,11-21)13-6-4-3-5-7-13/h3-7,24H,8-11H2,1-2H3,(H,19,20,22)/t18-/m1/s1
InChIKeyBNFCOJVDWCODCW-GOSISDBHSA-N
XLogP1.77
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate 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

methyl 2-[[2-[(3R)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 95144509
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39149048
methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7746549
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 110439718
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
ethyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 22195981
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 95144508) is methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CN2CC[C@](O)(c3ccccc3)C2)nc1C.
What is the InChIKey of methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BNFCOJVDWCODCW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-15(16(23)25-2)26-17(19-12)20-14(22)10-21-9-8-18(24,11-21)13-6-4-3-5-7-13/h3-7,24H,8-11H2,1-2H3,(H,19,20,22)/t18-/m1/s1.
What are the key properties of methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 95144508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).