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

C16H18FN3OS — CID 127047514

IUPACN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)cs1)N1CCCC1
InChIInChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)14-11-22-15(19-14)7-8-18-16(21)20-9-1-2-10-20/h3-6,11H,1-2,7-10H2,(H,18,21)
InChIKeyPIAGOHNHDVRBLQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.30
Rot. Bonds4

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

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 127047514) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID127047514
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccc(F)cc2)cs1)N1CCCC1
InChIInChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)14-11-22-15(19-14)7-8-18-16(21)20-9-1-2-10-20/h3-6,11H,1-2,7-10H2,(H,18,21)
InChIKeyPIAGOHNHDVRBLQ-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide (CID 127047514) is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCc1nc(-c2ccc(F)cc2)cs1)N1CCCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is PIAGOHNHDVRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)14-11-22-15(19-14)7-8-18-16(21)20-9-1-2-10-20/h3-6,11H,1-2,7-10H2,(H,18,21).
What are the key properties of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 127047514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).