N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide

C9H11BrFN3OS — CID 140776835

IUPACN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1sc(NC(=O)C2CC(F)CN2)nc1Br
InChIInChI=1S/C9H11BrFN3OS/c1-4-7(10)13-9(16-4)14-8(15)6-2-5(11)3-12-6/h5-6,12H,2-3H2,1H3,(H,13,14,15)
InChIKeyNNMBDTYPUVHKIR-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.85
Rot. Bonds2

About N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide

N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 140776835) has the molecular formula C9H11BrFN3OS and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID140776835
Molecular FormulaC9H11BrFN3OS
Molecular Weight308.18 g/mol
Exact Mass306.98
IUPAC NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1sc(NC(=O)C2CC(F)CN2)nc1Br
InChIInChI=1S/C9H11BrFN3OS/c1-4-7(10)13-9(16-4)14-8(15)6-2-5(11)3-12-6/h5-6,12H,2-3H2,1H3,(H,13,14,15)
InChIKeyNNMBDTYPUVHKIR-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 59436422
(2S,4R)-4-fluoro-N-(2-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 126623254
(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 126623430
methyl 2-chloro-6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-4-carboxylate
CID 126623338
(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130774690
(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130653783
(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 144912115
N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 175776752
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126623026
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130992352

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 140776835) is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide is Cc1sc(NC(=O)C2CC(F)CN2)nc1Br.
What is the InChIKey of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is NNMBDTYPUVHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3OS/c1-4-7(10)13-9(16-4)14-8(15)6-2-5(11)3-12-6/h5-6,12H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide?
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 140776835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).