(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

C8H9BrN2OS — CID 59174085

IUPAC(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Br)s1)N1CCCC1
InChIInChI=1S/C8H9BrN2OS/c9-8-10-5-6(13-8)7(12)11-3-1-2-4-11/h5H,1-4H2
InChIKeyHMUWOBBWUFBDJI-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.14
Rot. Bonds1

About (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 59174085) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID59174085
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Br)s1)N1CCCC1
InChIInChI=1S/C8H9BrN2OS/c9-8-10-5-6(13-8)7(12)11-3-1-2-4-11/h5H,1-4H2
InChIKeyHMUWOBBWUFBDJI-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-N-methylthiazole-5-carboxamide
CID 20328461
2-Bromo-1,3-thiazole-5-carboxamide
CID 20328604
2-bromo-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 20482368
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
(2-Propyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 71929554
(2-Bromothiazol-5-yl)(4-fluoropiperidin-1-yl)methanone
CID 67111015
(2-Bromothiazol-5-yl)(3-fluoropiperidin-1-yl)methanone
CID 67111026
(3-Fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 131036055
N,N-dimethyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566058
N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566059
2-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 168198720
2-bromo-N-cyclopropylthiazole-5-carboxamide
CID 67019715

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (CID 59174085) is (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is O=C(c1cnc(Br)s1)N1CCCC1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is HMUWOBBWUFBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-8-10-5-6(13-8)7(12)11-3-1-2-4-11/h5H,1-4H2.
What are the key properties of (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 261.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59174085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).