2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C25H25N5O3S — CID 59140914

IUPAC2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C25H25N5O3S/c31-22(26-19-12-13-19)17-10-8-16(9-11-17)20-15-34-24(28-20)29-23(32)21-7-4-14-30(21)25(33)27-18-5-2-1-3-6-18/h1-3,5-6,8-11,15,19,21H,4,7,12-14H2,(H,26,31)(H,27,33)(H,28,29,32)
InChIKeyXZFGFJHMZRRFGD-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.34
Rot. Bonds6

About 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 59140914) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID59140914
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C25H25N5O3S/c31-22(26-19-12-13-19)17-10-8-16(9-11-17)20-15-34-24(28-20)29-23(32)21-7-4-14-30(21)25(33)27-18-5-2-1-3-6-18/h1-3,5-6,8-11,15,19,21H,4,7,12-14H2,(H,26,31)(H,27,33)(H,28,29,32)
InChIKeyXZFGFJHMZRRFGD-UHFFFAOYSA-N
XLogP4.34
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 76582843
(2S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 59140919
benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]azetidine-1-carboxylate
CID 76582851
2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519325
(4-fluorophenyl)methyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 74316688
benzyl (2R)-2-[[4-[4-(pyrrolidin-3-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 24737744
trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 87484684
benzyl 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 74316715
(2S,4S)-1-[(2R)-2-amino-2-phenylacetyl]-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-4-fluoropyrrolidine-2-carboxamide
CID 87496100
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
benzyl 2-[[4-[4-(ethylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582822
(3S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-4-[(2R)-2-(morpholine-4-carbonylamino)-2-phenylacetyl]morpholine-3-carboxamide
CID 59228779

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 59140914) is 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XZFGFJHMZRRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c31-22(26-19-12-13-19)17-10-8-16(9-11-17)20-15-34-24(28-20)29-23(32)21-7-4-14-30(21)25(33)27-18-5-2-1-3-6-18/h1-3,5-6,8-11,15,19,21H,4,7,12-14H2,(H,26,31)(H,27,33)(H,28,29,32).
What are the key properties of 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59140914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).