(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C8H10BrN3OS — CID 61178289

IUPAC(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)[C@@H]1CCCN1
InChIInChI=1S/C8H10BrN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h4-5,10H,1-3H2,(H,11,12,13)/t5-/m0/s1
InChIKeyFZEXMKPLTOTQKT-YFKPBYRVSA-N
MW276.16 g/mol
LogP1.60
Rot. Bonds2

About (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61178289) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID61178289
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)[C@@H]1CCCN1
InChIInChI=1S/C8H10BrN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h4-5,10H,1-3H2,(H,11,12,13)/t5-/m0/s1
InChIKeyFZEXMKPLTOTQKT-YFKPBYRVSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 61178289) is (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncc(Br)s1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FZEXMKPLTOTQKT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h4-5,10H,1-3H2,(H,11,12,13)/t5-/m0/s1.
What are the key properties of (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).