1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C19H21N5OS — CID 45195971

IUPAC1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)[nH]1
InChIInChI=1S/C19H21N5OS/c1-13-20-9-16(22-13)10-24-8-2-3-18(24)19(25)23-15-6-4-14(5-7-15)17-11-26-12-21-17/h4-7,9,11-12,18H,2-3,8,10H2,1H3,(H,20,22)(H,23,25)
InChIKeyMEIKJGBIBXRPNK-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.44
Rot. Bonds5

About 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45195971) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45195971
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)[nH]1
InChIInChI=1S/C19H21N5OS/c1-13-20-9-16(22-13)10-24-8-2-3-18(24)19(25)23-15-6-4-14(5-7-15)17-11-26-12-21-17/h4-7,9,11-12,18H,2-3,8,10H2,1H3,(H,20,22)(H,23,25)
InChIKeyMEIKJGBIBXRPNK-UHFFFAOYSA-N
XLogP3.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 45195971) is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is Cc1ncc(CN2CCCC2C(=O)Nc2ccc(-c3cscn3)cc2)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MEIKJGBIBXRPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-20-9-16(22-13)10-24-8-2-3-18(24)19(25)23-15-6-4-14(5-7-15)17-11-26-12-21-17/h4-7,9,11-12,18H,2-3,8,10H2,1H3,(H,20,22)(H,23,25).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45195971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).