1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C18H20FN3O2S — CID 75554513

IUPAC1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CCCN2C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C18H20FN3O2S/c1-12-21-15(11-25-12)8-9-20-17(23)16-3-2-10-22(16)18(24)13-4-6-14(19)7-5-13/h4-7,11,16H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyMYJPBURIGVOVCF-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554513) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554513
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CCCN2C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C18H20FN3O2S/c1-12-21-15(11-25-12)8-9-20-17(23)16-3-2-10-22(16)18(24)13-4-6-14(19)7-5-13/h4-7,11,16H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyMYJPBURIGVOVCF-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554513) is 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is Cc1nc(CCNC(=O)C2CCCN2C(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MYJPBURIGVOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-12-21-15(11-25-12)8-9-20-17(23)16-3-2-10-22(16)18(24)13-4-6-14(19)7-5-13/h4-7,11,16H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).