2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C18H20N4O5S2 — CID 140519327

IUPAC2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1nc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cs1)C1CCCN1C(=O)O
InChIInChI=1S/C18H20N4O5S2/c23-16(15-2-1-9-22(15)18(24)25)20-17-19-14(10-28-17)11-3-7-13(8-4-11)29(26,27)21-12-5-6-12/h3-4,7-8,10,12,15,21H,1-2,5-6,9H2,(H,24,25)(H,19,20,23)
InChIKeyZGSYLOVCEBMPFP-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.33
Rot. Bonds6

About 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 140519327) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID140519327
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1nc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cs1)C1CCCN1C(=O)O
InChIInChI=1S/C18H20N4O5S2/c23-16(15-2-1-9-22(15)18(24)25)20-17-19-14(10-28-17)11-3-7-13(8-4-11)29(26,27)21-12-5-6-12/h3-4,7-8,10,12,15,21H,1-2,5-6,9H2,(H,24,25)(H,19,20,23)
InChIKeyZGSYLOVCEBMPFP-UHFFFAOYSA-N
XLogP2.33
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519328
2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519325
2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 59140914
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55488992
5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
1-(4-methylphenyl)sulfonyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 16827331
(2S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 59140919

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 140519327) is 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C(Nc1nc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cs1)C1CCCN1C(=O)O.
What is the InChIKey of 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is ZGSYLOVCEBMPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c23-16(15-2-1-9-22(15)18(24)25)20-17-19-14(10-28-17)11-3-7-13(8-4-11)29(26,27)21-12-5-6-12/h3-4,7-8,10,12,15,21H,1-2,5-6,9H2,(H,24,25)(H,19,20,23).
What are the key properties of 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 436.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140519327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).