2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C18H19N5O4S — CID 140519325

IUPAC2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)O)n2)nc1
InChIInChI=1S/C18H19N5O4S/c24-15(20-11-4-5-11)10-3-6-12(19-8-10)13-9-28-17(21-13)22-16(25)14-2-1-7-23(14)18(26)27/h3,6,8-9,11,14H,1-2,4-5,7H2,(H,20,24)(H,26,27)(H,21,22,25)
InChIKeyQZDOZXCCEQJWRG-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.18
Rot. Bonds5

About 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 140519325) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID140519325
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)O)n2)nc1
InChIInChI=1S/C18H19N5O4S/c24-15(20-11-4-5-11)10-3-6-12(19-8-10)13-9-28-17(21-13)22-16(25)14-2-1-7-23(14)18(26)27/h3,6,8-9,11,14H,1-2,4-5,7H2,(H,20,24)(H,26,27)(H,21,22,25)
InChIKeyQZDOZXCCEQJWRG-UHFFFAOYSA-N
XLogP2.18
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

benzyl 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 74316715
2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 59140914
(2S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 59140919
1-N-benzyl-2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 76582843
2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519327
(4-fluorophenyl)methyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 74316688
2-[[4-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519328
trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 87484684
benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]azetidine-1-carboxylate
CID 76582851
benzyl (2R)-2-[[4-[4-(pyrrolidin-3-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 24737744
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584
(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55937479

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 140519325) is 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)O)n2)nc1.
What is the InChIKey of 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is QZDOZXCCEQJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c24-15(20-11-4-5-11)10-3-6-12(19-8-10)13-9-28-17(21-13)22-16(25)14-2-1-7-23(14)18(26)27/h3,6,8-9,11,14H,1-2,4-5,7H2,(H,20,24)(H,26,27)(H,21,22,25).
What are the key properties of 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 401.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(cyclopropylcarbamoyl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140519325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).