(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C19H20FN3O2S — CID 164637463

IUPAC(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1
InChIInChI=1S/C19H20FN3O2S/c1-23-14(8-9-16(23)24)18(25)22-19-21-17(11-6-7-11)15(26-19)10-12-4-2-3-5-13(12)20/h2-5,11,14H,6-10H2,1H3,(H,21,22,25)/t14-/m0/s1
InChIKeyCWPASVBZXQJPTG-AWEZNQCLSA-N
MW373.45 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 164637463) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID164637463
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1
InChIInChI=1S/C19H20FN3O2S/c1-23-14(8-9-16(23)24)18(25)22-19-21-17(11-6-7-11)15(26-19)10-12-4-2-3-5-13(12)20/h2-5,11,14H,6-10H2,1H3,(H,21,22,25)/t14-/m0/s1
InChIKeyCWPASVBZXQJPTG-AWEZNQCLSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 164637463) is (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@H]1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1.
What is the InChIKey of (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CWPASVBZXQJPTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-23-14(8-9-16(23)24)18(25)22-19-21-17(11-6-7-11)15(26-19)10-12-4-2-3-5-13(12)20/h2-5,11,14H,6-10H2,1H3,(H,21,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 164637463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).