1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C17H21N3OS — CID 45211692

IUPAC1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-9-20-10-3-4-16(20)17(21)19-14-7-5-13(6-8-14)15-11-22-12-18-15/h5-8,11-12,16H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyFYPPFORPRUBLHI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.62
Rot. Bonds5

About 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45211692) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45211692
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-9-20-10-3-4-16(20)17(21)19-14-7-5-13(6-8-14)15-11-22-12-18-15/h5-8,11-12,16H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyFYPPFORPRUBLHI-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 45211692) is 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)Nc1ccc(-c2cscn2)cc1.
What is the InChIKey of 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FYPPFORPRUBLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-9-20-10-3-4-16(20)17(21)19-14-7-5-13(6-8-14)15-11-22-12-18-15/h5-8,11-12,16H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).